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

C18H24N6O4 — CID 85109494

IUPACN-[2-(cyclopentylmethyl)-3-[2-(7-methoxy-1,2,4-benzotriazin-3-yl)hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
SMILESCOc1ccc2nc(NNC(=O)C(CC3CCCC3)CN(O)C=O)nnc2c1
InChIInChI=1S/C18H24N6O4/c1-28-14-6-7-15-16(9-14)20-22-18(19-15)23-21-17(26)13(10-24(27)11-25)8-12-4-2-3-5-12/h6-7,9,11-13,27H,2-5,8,10H2,1H3,(H,21,26)(H,19,22,23)
InChIKeyISSNZGLFMLXQRA-UHFFFAOYSA-N
MW388.43 g/mol
LogP1.52
Rot. Bonds9

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

N-[2-(cyclopentylmethyl)-3-[2-(7-methoxy-1,2,4-benzotriazin-3-yl)hydrazinyl]-3-oxopropyl]-N-hydroxyformamide (PubChem CID 85109494) has the molecular formula C18H24N6O4 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-[2-(cyclopentylmethyl)-3-[2-(7-methoxy-1,2,4-benzotriazin-3-yl)hydrazinyl]-3-oxopropyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[2-(cyclopentylmethyl)-3-[2-(7-methoxy-1,2,4-benzotriazin-3-yl)hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
PubChem CID85109494
Molecular FormulaC18H24N6O4
Molecular Weight388.43 g/mol
Exact Mass388.19
IUPAC NameN-[2-(cyclopentylmethyl)-3-[2-(7-methoxy-1,2,4-benzotriazin-3-yl)hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
SMILESCOc1ccc2nc(NNC(=O)C(CC3CCCC3)CN(O)C=O)nnc2c1
InChIInChI=1S/C18H24N6O4/c1-28-14-6-7-15-16(9-14)20-22-18(19-15)23-21-17(26)13(10-24(27)11-25)8-12-4-2-3-5-12/h6-7,9,11-13,27H,2-5,8,10H2,1H3,(H,21,26)(H,19,22,23)
InChIKeyISSNZGLFMLXQRA-UHFFFAOYSA-N
XLogP1.52
TPSA129.57 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 51.52
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-[2-(cyclopentylmethyl)-3-[2-(7-methoxy-1,2,4-benzotriazin-3-yl)hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
The IUPAC name of N-[2-(cyclopentylmethyl)-3-[2-(7-methoxy-1,2,4-benzotriazin-3-yl)hydrazinyl]-3-oxopropyl]-N-hydroxyformamide (CID 85109494) is N-[2-(cyclopentylmethyl)-3-[2-(7-methoxy-1,2,4-benzotriazin-3-yl)hydrazinyl]-3-oxopropyl]-N-hydroxyformamide.
What is the SMILES notation for N-[2-(cyclopentylmethyl)-3-[2-(7-methoxy-1,2,4-benzotriazin-3-yl)hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
The canonical SMILES for N-[2-(cyclopentylmethyl)-3-[2-(7-methoxy-1,2,4-benzotriazin-3-yl)hydrazinyl]-3-oxopropyl]-N-hydroxyformamide is COc1ccc2nc(NNC(=O)C(CC3CCCC3)CN(O)C=O)nnc2c1.
What is the InChIKey of N-[2-(cyclopentylmethyl)-3-[2-(7-methoxy-1,2,4-benzotriazin-3-yl)hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
The InChIKey is ISSNZGLFMLXQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O4/c1-28-14-6-7-15-16(9-14)20-22-18(19-15)23-21-17(26)13(10-24(27)11-25)8-12-4-2-3-5-12/h6-7,9,11-13,27H,2-5,8,10H2,1H3,(H,21,26)(H,19,22,23).
What are the key properties of N-[2-(cyclopentylmethyl)-3-[2-(7-methoxy-1,2,4-benzotriazin-3-yl)hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
N-[2-(cyclopentylmethyl)-3-[2-(7-methoxy-1,2,4-benzotriazin-3-yl)hydrazinyl]-3-oxopropyl]-N-hydroxyformamide has a molecular weight of 388.43 g/mol, XLogP of 1.52, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylmethyl)-3-[2-(7-methoxy-1,2,4-benzotriazin-3-yl)hydrazinyl]-3-oxopropyl]-N-hydroxyformamide is sourced from PubChem (CID 85109494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).