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

C16H23Cl2N5O — CID 119846749

IUPAC1-amino-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)NCc2ccccc2Cn2cncn2)CCCC1
InChIInChI=1S/C16H21N5O.2ClH/c17-16(7-3-4-8-16)15(22)19-9-13-5-1-2-6-14(13)10-21-12-18-11-20-21;;/h1-2,5-6,11-12H,3-4,7-10,17H2,(H,19,22);2*1H
InChIKeyDDWMZAQUUWRCGS-UHFFFAOYSA-N
MW372.30 g/mol
LogP2.06
Rot. Bonds5

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

1-amino-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride (PubChem CID 119846749) has the molecular formula C16H23Cl2N5O and a molecular weight of 372.30 g/mol. Its IUPAC name is 1-amino-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
PubChem CID119846749
Molecular FormulaC16H23Cl2N5O
Molecular Weight372.30 g/mol
Exact Mass371.13
IUPAC Name1-amino-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)NCc2ccccc2Cn2cncn2)CCCC1
InChIInChI=1S/C16H21N5O.2ClH/c17-16(7-3-4-8-16)15(22)19-9-13-5-1-2-6-14(13)10-21-12-18-11-20-21;;/h1-2,5-6,11-12H,3-4,7-10,17H2,(H,19,22);2*1H
InChIKeyDDWMZAQUUWRCGS-UHFFFAOYSA-N
XLogP2.06
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.30
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-amino-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-N-[(2-ethylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119331950
4-methoxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 119846798
cis-(1S,2R)-2-phenyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 95169645
N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride
CID 119846737
2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide
CID 42957266
1-amino-N-[(2-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119270631
1-amino-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119866385
1-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119836114
2-(cyclopropylmethylamino)-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 119846776
2-amino-2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pentanamide;dihydrochloride
CID 119846813
N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119846811
3-amino-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119846731

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride (CID 119846749) is 1-amino-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride is Cl.Cl.NC1(C(=O)NCc2ccccc2Cn2cncn2)CCCC1.
What is the InChIKey of 1-amino-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is DDWMZAQUUWRCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O.2ClH/c17-16(7-3-4-8-16)15(22)19-9-13-5-1-2-6-14(13)10-21-12-18-11-20-21;;/h1-2,5-6,11-12H,3-4,7-10,17H2,(H,19,22);2*1H.
What are the key properties of 1-amino-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride?
1-amino-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride has a molecular weight of 372.30 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119846749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).