N-(2-amino-1-cyclopropylethyl)-1-methylbenzotriazole-5-carboxamide;hydrochloride

C13H18ClN5O — CID 119612905

IUPACN-(2-amino-1-cyclopropylethyl)-1-methylbenzotriazole-5-carboxamide;hydrochloride
SMILESCl.Cn1nnc2cc(C(=O)NC(CN)C3CC3)ccc21
InChIInChI=1S/C13H17N5O.ClH/c1-18-12-5-4-9(6-10(12)16-17-18)13(19)15-11(7-14)8-2-3-8;/h4-6,8,11H,2-3,7,14H2,1H3,(H,15,19);1H
InChIKeyZHJVZJNIIJZRFG-UHFFFAOYSA-N
MW295.77 g/mol
LogP0.86
Rot. Bonds4

About N-(2-amino-1-cyclopropylethyl)-1-methylbenzotriazole-5-carboxamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-1-methylbenzotriazole-5-carboxamide;hydrochloride (PubChem CID 119612905) has the molecular formula C13H18ClN5O and a molecular weight of 295.77 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-1-methylbenzotriazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-1-methylbenzotriazole-5-carboxamide;hydrochloride
PubChem CID119612905
Molecular FormulaC13H18ClN5O
Molecular Weight295.77 g/mol
Exact Mass295.12
IUPAC NameN-(2-amino-1-cyclopropylethyl)-1-methylbenzotriazole-5-carboxamide;hydrochloride
SMILESCl.Cn1nnc2cc(C(=O)NC(CN)C3CC3)ccc21
InChIInChI=1S/C13H17N5O.ClH/c1-18-12-5-4-9(6-10(12)16-17-18)13(19)15-11(7-14)8-2-3-8;/h4-6,8,11H,2-3,7,14H2,1H3,(H,15,19);1H
InChIKeyZHJVZJNIIJZRFG-UHFFFAOYSA-N
XLogP0.86
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-1-methylbenzotriazole-5-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-1-methylbenzotriazole-5-carboxamide;hydrochloride (CID 119612905) is N-(2-amino-1-cyclopropylethyl)-1-methylbenzotriazole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-1-methylbenzotriazole-5-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-1-methylbenzotriazole-5-carboxamide;hydrochloride is Cl.Cn1nnc2cc(C(=O)NC(CN)C3CC3)ccc21.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-1-methylbenzotriazole-5-carboxamide;hydrochloride?
The InChIKey is ZHJVZJNIIJZRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O.ClH/c1-18-12-5-4-9(6-10(12)16-17-18)13(19)15-11(7-14)8-2-3-8;/h4-6,8,11H,2-3,7,14H2,1H3,(H,15,19);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-1-methylbenzotriazole-5-carboxamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-1-methylbenzotriazole-5-carboxamide;hydrochloride has a molecular weight of 295.77 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-1-methylbenzotriazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 119612905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).