N-[2-cycloheptyl-3-[2-(7-methyl-1,2,4-benzotriazin-3-yl)hydrazinyl]-3-oxopropyl]-N-hydroxyformamide

C19H26N6O3 — CID 87264085

IUPACN-[2-cycloheptyl-3-[2-(7-methyl-1,2,4-benzotriazin-3-yl)hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
SMILESCc1ccc2nc(NNC(=O)C(CN(O)C=O)C3CCCCCC3)nnc2c1
InChIInChI=1S/C19H26N6O3/c1-13-8-9-16-17(10-13)21-23-19(20-16)24-22-18(27)15(11-25(28)12-26)14-6-4-2-3-5-7-14/h8-10,12,14-15,28H,2-7,11H2,1H3,(H,22,27)(H,20,23,24)
InChIKeyXOSSUYRTYKXVLH-UHFFFAOYSA-N
MW386.46 g/mol
LogP2.21
Rot. Bonds7

About N-[2-cycloheptyl-3-[2-(7-methyl-1,2,4-benzotriazin-3-yl)hydrazinyl]-3-oxopropyl]-N-hydroxyformamide

N-[2-cycloheptyl-3-[2-(7-methyl-1,2,4-benzotriazin-3-yl)hydrazinyl]-3-oxopropyl]-N-hydroxyformamide (PubChem CID 87264085) has the molecular formula C19H26N6O3 and a molecular weight of 386.46 g/mol. Its IUPAC name is N-[2-cycloheptyl-3-[2-(7-methyl-1,2,4-benzotriazin-3-yl)hydrazinyl]-3-oxopropyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[2-cycloheptyl-3-[2-(7-methyl-1,2,4-benzotriazin-3-yl)hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
PubChem CID87264085
Molecular FormulaC19H26N6O3
Molecular Weight386.46 g/mol
Exact Mass386.21
IUPAC NameN-[2-cycloheptyl-3-[2-(7-methyl-1,2,4-benzotriazin-3-yl)hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
SMILESCc1ccc2nc(NNC(=O)C(CN(O)C=O)C3CCCCCC3)nnc2c1
InChIInChI=1S/C19H26N6O3/c1-13-8-9-16-17(10-13)21-23-19(20-16)24-22-18(27)15(11-25(28)12-26)14-6-4-2-3-5-7-14/h8-10,12,14-15,28H,2-7,11H2,1H3,(H,22,27)(H,20,23,24)
InChIKeyXOSSUYRTYKXVLH-UHFFFAOYSA-N
XLogP2.21
TPSA120.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-cycloheptyl-3-[2-(7-methyl-1,2,4-benzotriazin-3-yl)hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
The IUPAC name of N-[2-cycloheptyl-3-[2-(7-methyl-1,2,4-benzotriazin-3-yl)hydrazinyl]-3-oxopropyl]-N-hydroxyformamide (CID 87264085) is N-[2-cycloheptyl-3-[2-(7-methyl-1,2,4-benzotriazin-3-yl)hydrazinyl]-3-oxopropyl]-N-hydroxyformamide.
What is the SMILES notation for N-[2-cycloheptyl-3-[2-(7-methyl-1,2,4-benzotriazin-3-yl)hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
The canonical SMILES for N-[2-cycloheptyl-3-[2-(7-methyl-1,2,4-benzotriazin-3-yl)hydrazinyl]-3-oxopropyl]-N-hydroxyformamide is Cc1ccc2nc(NNC(=O)C(CN(O)C=O)C3CCCCCC3)nnc2c1.
What is the InChIKey of N-[2-cycloheptyl-3-[2-(7-methyl-1,2,4-benzotriazin-3-yl)hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
The InChIKey is XOSSUYRTYKXVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O3/c1-13-8-9-16-17(10-13)21-23-19(20-16)24-22-18(27)15(11-25(28)12-26)14-6-4-2-3-5-7-14/h8-10,12,14-15,28H,2-7,11H2,1H3,(H,22,27)(H,20,23,24).
What are the key properties of N-[2-cycloheptyl-3-[2-(7-methyl-1,2,4-benzotriazin-3-yl)hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
N-[2-cycloheptyl-3-[2-(7-methyl-1,2,4-benzotriazin-3-yl)hydrazinyl]-3-oxopropyl]-N-hydroxyformamide has a molecular weight of 386.46 g/mol, XLogP of 2.21, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cycloheptyl-3-[2-(7-methyl-1,2,4-benzotriazin-3-yl)hydrazinyl]-3-oxopropyl]-N-hydroxyformamide is sourced from PubChem (CID 87264085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).