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

C19H26N6O4 — CID 85095635

IUPACN-[2-(cyclohexylmethyl)-3-[2-(7-methoxy-1,2,4-benzotriazin-3-yl)hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
SMILESCOc1ccc2nc(NNC(=O)C(CC3CCCCC3)CN(O)C=O)nnc2c1
InChIInChI=1S/C19H26N6O4/c1-29-15-7-8-16-17(10-15)21-23-19(20-16)24-22-18(27)14(11-25(28)12-26)9-13-5-3-2-4-6-13/h7-8,10,12-14,28H,2-6,9,11H2,1H3,(H,22,27)(H,20,23,24)
InChIKeyRONSURSSNAKMKA-UHFFFAOYSA-N
MW402.46 g/mol
LogP1.91
Rot. Bonds9

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

N-[2-(cyclohexylmethyl)-3-[2-(7-methoxy-1,2,4-benzotriazin-3-yl)hydrazinyl]-3-oxopropyl]-N-hydroxyformamide (PubChem CID 85095635) has the molecular formula C19H26N6O4 and a molecular weight of 402.46 g/mol. Its IUPAC name is N-[2-(cyclohexylmethyl)-3-[2-(7-methoxy-1,2,4-benzotriazin-3-yl)hydrazinyl]-3-oxopropyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[2-(cyclohexylmethyl)-3-[2-(7-methoxy-1,2,4-benzotriazin-3-yl)hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
PubChem CID85095635
Molecular FormulaC19H26N6O4
Molecular Weight402.46 g/mol
Exact Mass402.20
IUPAC NameN-[2-(cyclohexylmethyl)-3-[2-(7-methoxy-1,2,4-benzotriazin-3-yl)hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
SMILESCOc1ccc2nc(NNC(=O)C(CC3CCCCC3)CN(O)C=O)nnc2c1
InChIInChI=1S/C19H26N6O4/c1-29-15-7-8-16-17(10-15)21-23-19(20-16)24-22-18(27)14(11-25(28)12-26)9-13-5-3-2-4-6-13/h7-8,10,12-14,28H,2-6,9,11H2,1H3,(H,22,27)(H,20,23,24)
InChIKeyRONSURSSNAKMKA-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-[2-(cyclohexylmethyl)-3-[2-(7-methoxy-1,2,4-benzotriazin-3-yl)hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
The IUPAC name of N-[2-(cyclohexylmethyl)-3-[2-(7-methoxy-1,2,4-benzotriazin-3-yl)hydrazinyl]-3-oxopropyl]-N-hydroxyformamide (CID 85095635) is N-[2-(cyclohexylmethyl)-3-[2-(7-methoxy-1,2,4-benzotriazin-3-yl)hydrazinyl]-3-oxopropyl]-N-hydroxyformamide.
What is the SMILES notation for N-[2-(cyclohexylmethyl)-3-[2-(7-methoxy-1,2,4-benzotriazin-3-yl)hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
The canonical SMILES for N-[2-(cyclohexylmethyl)-3-[2-(7-methoxy-1,2,4-benzotriazin-3-yl)hydrazinyl]-3-oxopropyl]-N-hydroxyformamide is COc1ccc2nc(NNC(=O)C(CC3CCCCC3)CN(O)C=O)nnc2c1.
What is the InChIKey of N-[2-(cyclohexylmethyl)-3-[2-(7-methoxy-1,2,4-benzotriazin-3-yl)hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
The InChIKey is RONSURSSNAKMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O4/c1-29-15-7-8-16-17(10-15)21-23-19(20-16)24-22-18(27)14(11-25(28)12-26)9-13-5-3-2-4-6-13/h7-8,10,12-14,28H,2-6,9,11H2,1H3,(H,22,27)(H,20,23,24).
What are the key properties of N-[2-(cyclohexylmethyl)-3-[2-(7-methoxy-1,2,4-benzotriazin-3-yl)hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
N-[2-(cyclohexylmethyl)-3-[2-(7-methoxy-1,2,4-benzotriazin-3-yl)hydrazinyl]-3-oxopropyl]-N-hydroxyformamide 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-[2-(cyclohexylmethyl)-3-[2-(7-methoxy-1,2,4-benzotriazin-3-yl)hydrazinyl]-3-oxopropyl]-N-hydroxyformamide is sourced from PubChem (CID 85095635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).