3-amino-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride

C15H21Cl2N5O — CID 119843462

IUPAC3-amino-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCC(C(=O)Nc2ccc(Cn3cncn3)cc2)C1
InChIInChI=1S/C15H19N5O.2ClH/c16-13-4-3-12(7-13)15(21)19-14-5-1-11(2-6-14)8-20-10-17-9-18-20;;/h1-2,5-6,9-10,12-13H,3-4,7-8,16H2,(H,19,21);2*1H
InChIKeyRBJAPIWTYWKYHF-UHFFFAOYSA-N
MW358.27 g/mol
LogP2.24
Rot. Bonds4

About 3-amino-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride

3-amino-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride (PubChem CID 119843462) has the molecular formula C15H21Cl2N5O and a molecular weight of 358.27 g/mol. Its IUPAC name is 3-amino-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride
PubChem CID119843462
Molecular FormulaC15H21Cl2N5O
Molecular Weight358.27 g/mol
Exact Mass357.11
IUPAC Name3-amino-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCC(C(=O)Nc2ccc(Cn3cncn3)cc2)C1
InChIInChI=1S/C15H19N5O.2ClH/c16-13-4-3-12(7-13)15(21)19-14-5-1-11(2-6-14)8-20-10-17-9-18-20;;/h1-2,5-6,9-10,12-13H,3-4,7-8,16H2,(H,19,21);2*1H
InChIKeyRBJAPIWTYWKYHF-UHFFFAOYSA-N
XLogP2.24
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119838440
3-amino-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopentane-1-carboxamide
CID 119861390
3-amino-N-[4-(azepan-1-ylmethyl)phenyl]cyclopentane-1-carboxamide
CID 119867921
3-amino-N-[4-(2-amino-2-oxoethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119711689
2-cyclopentyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 86928588
(2R)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide
CID 103813532
3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 17349636
5-oxo-1-propan-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide
CID 86929676
(3S)-1-benzyl-5-oxo-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide
CID 29128951
(3R)-1-[(4-chlorophenyl)methyl]-5-oxo-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide
CID 29128462
3-amino-N-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 66031270
3-amino-N-(4-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670946

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride (CID 119843462) is 3-amino-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride is Cl.Cl.NC1CCC(C(=O)Nc2ccc(Cn3cncn3)cc2)C1.
What is the InChIKey of 3-amino-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is RBJAPIWTYWKYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O.2ClH/c16-13-4-3-12(7-13)15(21)19-14-5-1-11(2-6-14)8-20-10-17-9-18-20;;/h1-2,5-6,9-10,12-13H,3-4,7-8,16H2,(H,19,21);2*1H.
What are the key properties of 3-amino-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride?
3-amino-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride has a molecular weight of 358.27 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119843462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).