ethyl N-[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl]carbamate;hydrochloride

C11H15ClN6O2 — CID 175905968

IUPACethyl N-[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl]carbamate;hydrochloride
SMILESCCOC(=O)Nc1c(-c2ccc(N)cn2)nnn1C.Cl
InChIInChI=1S/C11H14N6O2.ClH/c1-3-19-11(18)14-10-9(15-16-17(10)2)8-5-4-7(12)6-13-8;/h4-6H,3,12H2,1-2H3,(H,14,18);1H
InChIKeyGMKPMBMMGIXZNS-UHFFFAOYSA-N
MW298.73 g/mol
LogP1.45
Rot. Bonds3

About ethyl N-[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl]carbamate;hydrochloride

ethyl N-[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl]carbamate;hydrochloride (PubChem CID 175905968) has the molecular formula C11H15ClN6O2 and a molecular weight of 298.73 g/mol. Its IUPAC name is ethyl N-[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl]carbamate;hydrochloride.

Molecular Properties

Compound Nameethyl N-[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl]carbamate;hydrochloride
PubChem CID175905968
Molecular FormulaC11H15ClN6O2
Molecular Weight298.73 g/mol
Exact Mass298.09
IUPAC Nameethyl N-[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl]carbamate;hydrochloride
SMILESCCOC(=O)Nc1c(-c2ccc(N)cn2)nnn1C.Cl
InChIInChI=1S/C11H14N6O2.ClH/c1-3-19-11(18)14-10-9(15-16-17(10)2)8-5-4-7(12)6-13-8;/h4-6H,3,12H2,1-2H3,(H,14,18);1H
InChIKeyGMKPMBMMGIXZNS-UHFFFAOYSA-N
XLogP1.45
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl N-[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl]carbamate;hydrochloride 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

[(1R)-1-(5-chloro-2-fluoro-3-pyridinyl)ethyl] N-[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl]carbamate
CID 162377639
[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl] carbamate
CID 175412702
[(1R)-1-(2-fluoro-3-pyridinyl)ethyl] N-[5-(5-aminopyrazin-2-yl)-3-methyltriazol-4-yl]carbamate
CID 162377613
ethyl 5-(5-amino-2-pyridinyl)pyridine-3-carboxylate;hydrochloride
CID 139271487
[5-[5-[(3-chloro-1-bicyclo[1.1.1]pentanyl)carbamoyl]-2-pyridinyl]-3-methyltriazol-4-yl]carbamic acid
CID 174218168
trans-(1S,3S)-3-[[6-[5-(1-cyclopropylethoxycarbonylamino)-1-methyltriazol-4-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 146574445
[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[5-[5-(methoxymethyl)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate
CID 166130403
tert-butyl N-[6-[5-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-1-methyltriazol-4-yl]-3-pyridinyl]carbamate
CID 162377995
ethyl N-(5-amino-1,3-dimethylpyrazol-4-yl)carbamate
CID 10559867
5-(ethoxycarbonylamino)-1,3-dimethylpyrazole-4-carboxylic acid
CID 110479357
butan-2-yl N-(5-amino-2-pyridinyl)carbamate
CID 150685008
[(1R)-1-(5-fluoro-2-methyl-3-pyridinyl)ethyl] N-[5-[5-[[(1S)-2,2-difluorocyclopropanecarbonyl]amino]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate
CID 162377965

Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl]carbamate;hydrochloride?
The IUPAC name of ethyl N-[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl]carbamate;hydrochloride (CID 175905968) is ethyl N-[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl]carbamate;hydrochloride.
What is the SMILES notation for ethyl N-[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl]carbamate;hydrochloride?
The canonical SMILES for ethyl N-[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl]carbamate;hydrochloride is CCOC(=O)Nc1c(-c2ccc(N)cn2)nnn1C.Cl.
What is the InChIKey of ethyl N-[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl]carbamate;hydrochloride?
The InChIKey is GMKPMBMMGIXZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2.ClH/c1-3-19-11(18)14-10-9(15-16-17(10)2)8-5-4-7(12)6-13-8;/h4-6H,3,12H2,1-2H3,(H,14,18);1H.
What are the key properties of ethyl N-[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl]carbamate;hydrochloride?
ethyl N-[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl]carbamate;hydrochloride has a molecular weight of 298.73 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl]carbamate;hydrochloride is sourced from PubChem (CID 175905968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).