N-[(2R)-3-[amino-(7-methyl-1,2,4-benzotriazin-3-yl)amino]-2-(4-methylcyclohexyl)-3-oxopropyl]-N-hydroxyformamide

C19H26N6O3 — CID 87947246

IUPACN-[(2R)-3-[amino-(7-methyl-1,2,4-benzotriazin-3-yl)amino]-2-(4-methylcyclohexyl)-3-oxopropyl]-N-hydroxyformamide
SMILESCc1ccc2nc(N(N)C(=O)[C@@H](CN(O)C=O)C3CCC(C)CC3)nnc2c1
InChIInChI=1S/C19H26N6O3/c1-12-3-6-14(7-4-12)15(10-24(28)11-26)18(27)25(20)19-21-16-8-5-13(2)9-17(16)22-23-19/h5,8-9,11-12,14-15,28H,3-4,6-7,10,20H2,1-2H3/t12?,14?,15-/m0/s1
InChIKeySLOPEGHPVLBPMZ-ZALBZXLWSA-N
MW386.46 g/mol
LogP1.83
Rot. Bonds6

About N-[(2R)-3-[amino-(7-methyl-1,2,4-benzotriazin-3-yl)amino]-2-(4-methylcyclohexyl)-3-oxopropyl]-N-hydroxyformamide

N-[(2R)-3-[amino-(7-methyl-1,2,4-benzotriazin-3-yl)amino]-2-(4-methylcyclohexyl)-3-oxopropyl]-N-hydroxyformamide (PubChem CID 87947246) has the molecular formula C19H26N6O3 and a molecular weight of 386.46 g/mol. Its IUPAC name is N-[(2R)-3-[amino-(7-methyl-1,2,4-benzotriazin-3-yl)amino]-2-(4-methylcyclohexyl)-3-oxopropyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(2R)-3-[amino-(7-methyl-1,2,4-benzotriazin-3-yl)amino]-2-(4-methylcyclohexyl)-3-oxopropyl]-N-hydroxyformamide
PubChem CID87947246
Molecular FormulaC19H26N6O3
Molecular Weight386.46 g/mol
Exact Mass386.21
IUPAC NameN-[(2R)-3-[amino-(7-methyl-1,2,4-benzotriazin-3-yl)amino]-2-(4-methylcyclohexyl)-3-oxopropyl]-N-hydroxyformamide
SMILESCc1ccc2nc(N(N)C(=O)[C@@H](CN(O)C=O)C3CCC(C)CC3)nnc2c1
InChIInChI=1S/C19H26N6O3/c1-12-3-6-14(7-4-12)15(10-24(28)11-26)18(27)25(20)19-21-16-8-5-13(2)9-17(16)22-23-19/h5,8-9,11-12,14-15,28H,3-4,6-7,10,20H2,1-2H3/t12?,14?,15-/m0/s1
InChIKeySLOPEGHPVLBPMZ-ZALBZXLWSA-N
XLogP1.83
TPSA125.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-cycloheptyl-3-[2-(7-methyl-1,2,4-benzotriazin-3-yl)hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
CID 87264085
N-[4-cyclopentyl-2-[[(7-methyl-1,2,4-benzotriazin-3-yl)amino]carbamoyl]butyl]-N-hydroxyformamide
CID 87264525
N-[4,4-dimethyl-2-[[(7-methyl-1,2,4-benzotriazin-3-yl)amino]carbamoyl]pentyl]-N-hydroxyformamide
CID 87263862
N-[5,5-dimethyl-2-[[(7-methyl-1,2,4-benzotriazin-3-yl)amino]carbamoyl]hexyl]-N-hydroxyformamide
CID 87264580
N-[[(3R,5S)-3,5-dimethyl-1-[[(7-methyl-1,2,4-benzotriazin-3-yl)amino]carbamoyl]cyclohexyl]methyl]-N-hydroxyformamide
CID 87739288
(2R)-2-(cyclopentylmethyl)-N-[2,2-dimethyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-[formyl(hydroxy)amino]propanamide
CID 90746253
N-[(2R)-2-[amino-(4-propan-2-ylpyrimidin-2-yl)carbamoyl]heptyl]-N-hydroxyformamide
CID 87434644
N-hydroxy-N-[(2R)-2-(4-methylcyclohexyl)-3-[2-[5-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]formamide
CID 87264234
N-[(2R)-3-[2-(6-chloro-1,2,4-benzotriazin-3-yl)hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
CID 87264399
N-[(2R)-2-[amino-[4-(trifluoromethyl)pyrimidin-2-yl]carbamoyl]-5-methylhexyl]-N-hydroxyformamide
CID 154018896
bis(4-methylbenzene-1,2-diol);1-methyl-4-propan-2-ylcyclohexane
CID 160574395
N-[(2R)-3-[amino-[4-(cyclopropylamino)-6-ethyl-1,3,5-triazin-2-yl]amino]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
CID 87695036

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-[amino-(7-methyl-1,2,4-benzotriazin-3-yl)amino]-2-(4-methylcyclohexyl)-3-oxopropyl]-N-hydroxyformamide?
The IUPAC name of N-[(2R)-3-[amino-(7-methyl-1,2,4-benzotriazin-3-yl)amino]-2-(4-methylcyclohexyl)-3-oxopropyl]-N-hydroxyformamide (CID 87947246) is N-[(2R)-3-[amino-(7-methyl-1,2,4-benzotriazin-3-yl)amino]-2-(4-methylcyclohexyl)-3-oxopropyl]-N-hydroxyformamide.
What is the SMILES notation for N-[(2R)-3-[amino-(7-methyl-1,2,4-benzotriazin-3-yl)amino]-2-(4-methylcyclohexyl)-3-oxopropyl]-N-hydroxyformamide?
The canonical SMILES for N-[(2R)-3-[amino-(7-methyl-1,2,4-benzotriazin-3-yl)amino]-2-(4-methylcyclohexyl)-3-oxopropyl]-N-hydroxyformamide is Cc1ccc2nc(N(N)C(=O)[C@@H](CN(O)C=O)C3CCC(C)CC3)nnc2c1.
What is the InChIKey of N-[(2R)-3-[amino-(7-methyl-1,2,4-benzotriazin-3-yl)amino]-2-(4-methylcyclohexyl)-3-oxopropyl]-N-hydroxyformamide?
The InChIKey is SLOPEGHPVLBPMZ-ZALBZXLWSA-N. The full InChI is InChI=1S/C19H26N6O3/c1-12-3-6-14(7-4-12)15(10-24(28)11-26)18(27)25(20)19-21-16-8-5-13(2)9-17(16)22-23-19/h5,8-9,11-12,14-15,28H,3-4,6-7,10,20H2,1-2H3/t12?,14?,15-/m0/s1.
What are the key properties of N-[(2R)-3-[amino-(7-methyl-1,2,4-benzotriazin-3-yl)amino]-2-(4-methylcyclohexyl)-3-oxopropyl]-N-hydroxyformamide?
N-[(2R)-3-[amino-(7-methyl-1,2,4-benzotriazin-3-yl)amino]-2-(4-methylcyclohexyl)-3-oxopropyl]-N-hydroxyformamide has a molecular weight of 386.46 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-[amino-(7-methyl-1,2,4-benzotriazin-3-yl)amino]-2-(4-methylcyclohexyl)-3-oxopropyl]-N-hydroxyformamide is sourced from PubChem (CID 87947246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).