N-hydroxy-N-[3-[2-(7-methoxy-1,2,4-benzotriazin-3-yl)hydrazinyl]-2-[(1-methylcyclopentyl)methyl]-3-oxopropyl]formamide

C19H26N6O4 — CID 87264076

IUPACN-hydroxy-N-[3-[2-(7-methoxy-1,2,4-benzotriazin-3-yl)hydrazinyl]-2-[(1-methylcyclopentyl)methyl]-3-oxopropyl]formamide
SMILESCOc1ccc2nc(NNC(=O)C(CN(O)C=O)CC3(C)CCCC3)nnc2c1
InChIInChI=1S/C19H26N6O4/c1-19(7-3-4-8-19)10-13(11-25(28)12-26)17(27)22-24-18-20-15-6-5-14(29-2)9-16(15)21-23-18/h5-6,9,12-13,28H,3-4,7-8,10-11H2,1-2H3,(H,22,27)(H,20,23,24)
InChIKeyZJVRYYNLVGDTAV-UHFFFAOYSA-N
MW402.46 g/mol
LogP1.91
Rot. Bonds9

About N-hydroxy-N-[3-[2-(7-methoxy-1,2,4-benzotriazin-3-yl)hydrazinyl]-2-[(1-methylcyclopentyl)methyl]-3-oxopropyl]formamide

N-hydroxy-N-[3-[2-(7-methoxy-1,2,4-benzotriazin-3-yl)hydrazinyl]-2-[(1-methylcyclopentyl)methyl]-3-oxopropyl]formamide (PubChem CID 87264076) has the molecular formula C19H26N6O4 and a molecular weight of 402.46 g/mol. Its IUPAC name is N-hydroxy-N-[3-[2-(7-methoxy-1,2,4-benzotriazin-3-yl)hydrazinyl]-2-[(1-methylcyclopentyl)methyl]-3-oxopropyl]formamide.

Molecular Properties

Compound NameN-hydroxy-N-[3-[2-(7-methoxy-1,2,4-benzotriazin-3-yl)hydrazinyl]-2-[(1-methylcyclopentyl)methyl]-3-oxopropyl]formamide
PubChem CID87264076
Molecular FormulaC19H26N6O4
Molecular Weight402.46 g/mol
Exact Mass402.20
IUPAC NameN-hydroxy-N-[3-[2-(7-methoxy-1,2,4-benzotriazin-3-yl)hydrazinyl]-2-[(1-methylcyclopentyl)methyl]-3-oxopropyl]formamide
SMILESCOc1ccc2nc(NNC(=O)C(CN(O)C=O)CC3(C)CCCC3)nnc2c1
InChIInChI=1S/C19H26N6O4/c1-19(7-3-4-8-19)10-13(11-25(28)12-26)17(27)22-24-18-20-15-6-5-14(29-2)9-16(15)21-23-18/h5-6,9,12-13,28H,3-4,7-8,10-11H2,1-2H3,(H,22,27)(H,20,23,24)
InChIKeyZJVRYYNLVGDTAV-UHFFFAOYSA-N
XLogP1.91
TPSA129.57 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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-hydroxy-N-[3-[2-(7-methoxy-1,2,4-benzotriazin-3-yl)hydrazinyl]-2-[(1-methylcyclopentyl)methyl]-3-oxopropyl]formamide?
The IUPAC name of N-hydroxy-N-[3-[2-(7-methoxy-1,2,4-benzotriazin-3-yl)hydrazinyl]-2-[(1-methylcyclopentyl)methyl]-3-oxopropyl]formamide (CID 87264076) is N-hydroxy-N-[3-[2-(7-methoxy-1,2,4-benzotriazin-3-yl)hydrazinyl]-2-[(1-methylcyclopentyl)methyl]-3-oxopropyl]formamide.
What is the SMILES notation for N-hydroxy-N-[3-[2-(7-methoxy-1,2,4-benzotriazin-3-yl)hydrazinyl]-2-[(1-methylcyclopentyl)methyl]-3-oxopropyl]formamide?
The canonical SMILES for N-hydroxy-N-[3-[2-(7-methoxy-1,2,4-benzotriazin-3-yl)hydrazinyl]-2-[(1-methylcyclopentyl)methyl]-3-oxopropyl]formamide is COc1ccc2nc(NNC(=O)C(CN(O)C=O)CC3(C)CCCC3)nnc2c1.
What is the InChIKey of N-hydroxy-N-[3-[2-(7-methoxy-1,2,4-benzotriazin-3-yl)hydrazinyl]-2-[(1-methylcyclopentyl)methyl]-3-oxopropyl]formamide?
The InChIKey is ZJVRYYNLVGDTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O4/c1-19(7-3-4-8-19)10-13(11-25(28)12-26)17(27)22-24-18-20-15-6-5-14(29-2)9-16(15)21-23-18/h5-6,9,12-13,28H,3-4,7-8,10-11H2,1-2H3,(H,22,27)(H,20,23,24).
What are the key properties of N-hydroxy-N-[3-[2-(7-methoxy-1,2,4-benzotriazin-3-yl)hydrazinyl]-2-[(1-methylcyclopentyl)methyl]-3-oxopropyl]formamide?
N-hydroxy-N-[3-[2-(7-methoxy-1,2,4-benzotriazin-3-yl)hydrazinyl]-2-[(1-methylcyclopentyl)methyl]-3-oxopropyl]formamide has a molecular weight of 402.46 g/mol, XLogP of 1.91, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[3-[2-(7-methoxy-1,2,4-benzotriazin-3-yl)hydrazinyl]-2-[(1-methylcyclopentyl)methyl]-3-oxopropyl]formamide is sourced from PubChem (CID 87264076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).