[5-chloro-6-[4-[(dimethylamino)methyl]triazol-2-yl]-3-pyridinyl]carbamic acid

C11H13ClN6O2 — CID 156539805

IUPAC[5-chloro-6-[4-[(dimethylamino)methyl]triazol-2-yl]-3-pyridinyl]carbamic acid
SMILESCN(C)Cc1cnn(-c2ncc(NC(=O)O)cc2Cl)n1
InChIInChI=1S/C11H13ClN6O2/c1-17(2)6-8-5-14-18(16-8)10-9(12)3-7(4-13-10)15-11(19)20/h3-5,15H,6H2,1-2H3,(H,19,20)
InChIKeyCBVBEDABWUZOJZ-UHFFFAOYSA-N
MW296.72 g/mol
LogP1.47
Rot. Bonds4

About [5-chloro-6-[4-[(dimethylamino)methyl]triazol-2-yl]-3-pyridinyl]carbamic acid

[5-chloro-6-[4-[(dimethylamino)methyl]triazol-2-yl]-3-pyridinyl]carbamic acid (PubChem CID 156539805) has the molecular formula C11H13ClN6O2 and a molecular weight of 296.72 g/mol. Its IUPAC name is [5-chloro-6-[4-[(dimethylamino)methyl]triazol-2-yl]-3-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[5-chloro-6-[4-[(dimethylamino)methyl]triazol-2-yl]-3-pyridinyl]carbamic acid
PubChem CID156539805
Molecular FormulaC11H13ClN6O2
Molecular Weight296.72 g/mol
Exact Mass296.08
IUPAC Name[5-chloro-6-[4-[(dimethylamino)methyl]triazol-2-yl]-3-pyridinyl]carbamic acid
SMILESCN(C)Cc1cnn(-c2ncc(NC(=O)O)cc2Cl)n1
InChIInChI=1S/C11H13ClN6O2/c1-17(2)6-8-5-14-18(16-8)10-9(12)3-7(4-13-10)15-11(19)20/h3-5,15H,6H2,1-2H3,(H,19,20)
InChIKeyCBVBEDABWUZOJZ-UHFFFAOYSA-N
XLogP1.47
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.72
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [5-chloro-6-[4-[(dimethylamino)methyl]triazol-2-yl]-3-pyridinyl]carbamic acid 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-[5-chloro-6-[4-(methoxymethyl)triazol-2-yl]-3-pyridinyl]-3-[8-(1-methoxyethyl)-2-methylimidazo[1,2-b]pyridazin-7-yl]urea
CID 166769846
(5-chloro-6-ethoxy-3-pyridinyl)carbamic acid
CID 118540048
2-(3-chloro-5-methyl-2-pyridinyl)-N-methoxy-N-methyltriazole-4-carboxamide
CID 165087809
[5-chloro-6-[4-(hydroxymethyl)triazol-2-yl]-3-pyridinyl] carbamate
CID 175311867
1-[2-[3-chloro-5-(methylamino)-2-pyridinyl]triazol-4-yl]ethanol
CID 156564027
N-[5-chloro-6-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-3-pyridinyl]formamide
CID 168891321
1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[7-[1-[(dimethylamino)methyl]cyclopropyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea
CID 134217483
1-[5-bromo-4-(methoxymethyl)-6-methyl-3-pyridinyl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea
CID 155708225
1-[2-chloro-7-[1-(dimethylamino)cyclopropyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea
CID 118540249
2-[(5-chloro-6-methyl-3-pyridinyl)amino]-2-oxoacetic acid
CID 164750475
[2-[5-chloro-4-[[5-chloro-6-(triazol-2-yl)-3-pyridinyl]carbamoyl]-2-fluorophenyl]-5-fluorophenyl]carbamic acid
CID 175833527
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-ethyl-1-(3-methyl-2-pyridinyl)-5-(2,3,4-trifluorophenyl)pyrazole-4-carboxamide
CID 175353938

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[4-[(dimethylamino)methyl]triazol-2-yl]-3-pyridinyl]carbamic acid?
The IUPAC name of [5-chloro-6-[4-[(dimethylamino)methyl]triazol-2-yl]-3-pyridinyl]carbamic acid (CID 156539805) is [5-chloro-6-[4-[(dimethylamino)methyl]triazol-2-yl]-3-pyridinyl]carbamic acid.
What is the SMILES notation for [5-chloro-6-[4-[(dimethylamino)methyl]triazol-2-yl]-3-pyridinyl]carbamic acid?
The canonical SMILES for [5-chloro-6-[4-[(dimethylamino)methyl]triazol-2-yl]-3-pyridinyl]carbamic acid is CN(C)Cc1cnn(-c2ncc(NC(=O)O)cc2Cl)n1.
What is the InChIKey of [5-chloro-6-[4-[(dimethylamino)methyl]triazol-2-yl]-3-pyridinyl]carbamic acid?
The InChIKey is CBVBEDABWUZOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN6O2/c1-17(2)6-8-5-14-18(16-8)10-9(12)3-7(4-13-10)15-11(19)20/h3-5,15H,6H2,1-2H3,(H,19,20).
What are the key properties of [5-chloro-6-[4-[(dimethylamino)methyl]triazol-2-yl]-3-pyridinyl]carbamic acid?
[5-chloro-6-[4-[(dimethylamino)methyl]triazol-2-yl]-3-pyridinyl]carbamic acid has a molecular weight of 296.72 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[4-[(dimethylamino)methyl]triazol-2-yl]-3-pyridinyl]carbamic acid is sourced from PubChem (CID 156539805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).