N-(5-cyclohexyl-1H-pyrazol-3-yl)-1,2,4-benzotriazine-3-carboxamide

C17H18N6O — CID 136543495

IUPACN-(5-cyclohexyl-1H-pyrazol-3-yl)-1,2,4-benzotriazine-3-carboxamide
SMILESO=C(Nc1cc(C2CCCCC2)[nH]n1)c1nnc2ccccc2n1
InChIInChI=1S/C17H18N6O/c24-17(16-18-12-8-4-5-9-13(12)20-23-16)19-15-10-14(21-22-15)11-6-2-1-3-7-11/h4-5,8-11H,1-3,6-7H2,(H2,19,21,22,24)
InChIKeyQTETYVLAIMWLGU-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.05
Rot. Bonds3

About N-(5-cyclohexyl-1H-pyrazol-3-yl)-1,2,4-benzotriazine-3-carboxamide

N-(5-cyclohexyl-1H-pyrazol-3-yl)-1,2,4-benzotriazine-3-carboxamide (PubChem CID 136543495) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is N-(5-cyclohexyl-1H-pyrazol-3-yl)-1,2,4-benzotriazine-3-carboxamide.

Molecular Properties

Compound NameN-(5-cyclohexyl-1H-pyrazol-3-yl)-1,2,4-benzotriazine-3-carboxamide
PubChem CID136543495
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC NameN-(5-cyclohexyl-1H-pyrazol-3-yl)-1,2,4-benzotriazine-3-carboxamide
SMILESO=C(Nc1cc(C2CCCCC2)[nH]n1)c1nnc2ccccc2n1
InChIInChI=1S/C17H18N6O/c24-17(16-18-12-8-4-5-9-13(12)20-23-16)19-15-10-14(21-22-15)11-6-2-1-3-7-11/h4-5,8-11H,1-3,6-7H2,(H2,19,21,22,24)
InChIKeyQTETYVLAIMWLGU-UHFFFAOYSA-N
XLogP3.05
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexyl-1H-pyrazol-3-yl)-1,2,4-benzotriazine-3-carboxamide?
The IUPAC name of N-(5-cyclohexyl-1H-pyrazol-3-yl)-1,2,4-benzotriazine-3-carboxamide (CID 136543495) is N-(5-cyclohexyl-1H-pyrazol-3-yl)-1,2,4-benzotriazine-3-carboxamide.
What is the SMILES notation for N-(5-cyclohexyl-1H-pyrazol-3-yl)-1,2,4-benzotriazine-3-carboxamide?
The canonical SMILES for N-(5-cyclohexyl-1H-pyrazol-3-yl)-1,2,4-benzotriazine-3-carboxamide is O=C(Nc1cc(C2CCCCC2)[nH]n1)c1nnc2ccccc2n1.
What is the InChIKey of N-(5-cyclohexyl-1H-pyrazol-3-yl)-1,2,4-benzotriazine-3-carboxamide?
The InChIKey is QTETYVLAIMWLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c24-17(16-18-12-8-4-5-9-13(12)20-23-16)19-15-10-14(21-22-15)11-6-2-1-3-7-11/h4-5,8-11H,1-3,6-7H2,(H2,19,21,22,24).
What are the key properties of N-(5-cyclohexyl-1H-pyrazol-3-yl)-1,2,4-benzotriazine-3-carboxamide?
N-(5-cyclohexyl-1H-pyrazol-3-yl)-1,2,4-benzotriazine-3-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexyl-1H-pyrazol-3-yl)-1,2,4-benzotriazine-3-carboxamide is sourced from PubChem (CID 136543495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).