N-[(2R)-3-[2-(6-chloro-1,2,4-benzotriazin-3-yl)hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide

C17H21ClN6O3 — CID 87264399

IUPACN-[(2R)-3-[2-(6-chloro-1,2,4-benzotriazin-3-yl)hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
SMILESO=CN(O)C[C@@H](CC1CCCC1)C(=O)NNc1nnc2ccc(Cl)cc2n1
InChIInChI=1S/C17H21ClN6O3/c18-13-5-6-14-15(8-13)19-17(22-20-14)23-21-16(26)12(9-24(27)10-25)7-11-3-1-2-4-11/h5-6,8,10-12,27H,1-4,7,9H2,(H,21,26)(H,19,22,23)/t12-/m1/s1
InChIKeySKEXCIDEOWDCDV-GFCCVEGCSA-N
MW392.85 g/mol
LogP2.17
Rot. Bonds8

About N-[(2R)-3-[2-(6-chloro-1,2,4-benzotriazin-3-yl)hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide

N-[(2R)-3-[2-(6-chloro-1,2,4-benzotriazin-3-yl)hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide (PubChem CID 87264399) has the molecular formula C17H21ClN6O3 and a molecular weight of 392.85 g/mol. Its IUPAC name is N-[(2R)-3-[2-(6-chloro-1,2,4-benzotriazin-3-yl)hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(2R)-3-[2-(6-chloro-1,2,4-benzotriazin-3-yl)hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
PubChem CID87264399
Molecular FormulaC17H21ClN6O3
Molecular Weight392.85 g/mol
Exact Mass392.14
IUPAC NameN-[(2R)-3-[2-(6-chloro-1,2,4-benzotriazin-3-yl)hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
SMILESO=CN(O)C[C@@H](CC1CCCC1)C(=O)NNc1nnc2ccc(Cl)cc2n1
InChIInChI=1S/C17H21ClN6O3/c18-13-5-6-14-15(8-13)19-17(22-20-14)23-21-16(26)12(9-24(27)10-25)7-11-3-1-2-4-11/h5-6,8,10-12,27H,1-4,7,9H2,(H,21,26)(H,19,22,23)/t12-/m1/s1
InChIKeySKEXCIDEOWDCDV-GFCCVEGCSA-N
XLogP2.17
TPSA120.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.85
LogP ≤ 52.17
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-[(2R)-3-[2-(6-chloro-1,2,4-benzotriazin-3-yl)hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide?
The IUPAC name of N-[(2R)-3-[2-(6-chloro-1,2,4-benzotriazin-3-yl)hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide (CID 87264399) is N-[(2R)-3-[2-(6-chloro-1,2,4-benzotriazin-3-yl)hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide.
What is the SMILES notation for N-[(2R)-3-[2-(6-chloro-1,2,4-benzotriazin-3-yl)hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide?
The canonical SMILES for N-[(2R)-3-[2-(6-chloro-1,2,4-benzotriazin-3-yl)hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide is O=CN(O)C[C@@H](CC1CCCC1)C(=O)NNc1nnc2ccc(Cl)cc2n1.
What is the InChIKey of N-[(2R)-3-[2-(6-chloro-1,2,4-benzotriazin-3-yl)hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide?
The InChIKey is SKEXCIDEOWDCDV-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H21ClN6O3/c18-13-5-6-14-15(8-13)19-17(22-20-14)23-21-16(26)12(9-24(27)10-25)7-11-3-1-2-4-11/h5-6,8,10-12,27H,1-4,7,9H2,(H,21,26)(H,19,22,23)/t12-/m1/s1.
What are the key properties of N-[(2R)-3-[2-(6-chloro-1,2,4-benzotriazin-3-yl)hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide?
N-[(2R)-3-[2-(6-chloro-1,2,4-benzotriazin-3-yl)hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide has a molecular weight of 392.85 g/mol, XLogP of 2.17, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-[2-(6-chloro-1,2,4-benzotriazin-3-yl)hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide is sourced from PubChem (CID 87264399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).