3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-1H-1,2,4-triazole-5-carboxamide

C11H13ClN6O — CID 62807916

IUPAC3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCN(C)c1ccc(Cl)cc1NC(=O)c1nc(N)n[nH]1
InChIInChI=1S/C11H13ClN6O/c1-18(2)8-4-3-6(12)5-7(8)14-10(19)9-15-11(13)17-16-9/h3-5H,1-2H3,(H,14,19)(H3,13,15,16,17)
InChIKeyNZZOSGQYBQTIPM-UHFFFAOYSA-N
MW280.72 g/mol
LogP1.36
Rot. Bonds3

About 3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-1H-1,2,4-triazole-5-carboxamide

3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 62807916) has the molecular formula C11H13ClN6O and a molecular weight of 280.72 g/mol. Its IUPAC name is 3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID62807916
Molecular FormulaC11H13ClN6O
Molecular Weight280.72 g/mol
Exact Mass280.08
IUPAC Name3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCN(C)c1ccc(Cl)cc1NC(=O)c1nc(N)n[nH]1
InChIInChI=1S/C11H13ClN6O/c1-18(2)8-4-3-6(12)5-7(8)14-10(19)9-15-11(13)17-16-9/h3-5H,1-2H3,(H,14,19)(H3,13,15,16,17)
InChIKeyNZZOSGQYBQTIPM-UHFFFAOYSA-N
XLogP1.36
TPSA99.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(5-chloro-2-nitrophenyl)-1H-1,2,4-triazole-5-carboxamide
CID 62807360
2-amino-4-chloro-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 63110506
N-[5-chloro-2-(dimethylamino)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 56580879
4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56583142
2-(aminomethyl)-N-[5-chloro-2-(dimethylamino)phenyl]-1,3-thiazole-4-carboxamide
CID 66377445
N-[5-chloro-2-(dimethylamino)phenyl]-6-fluoropyridine-2-carboxamide
CID 115497281
2-amino-N-[5-chloro-2-(dimethylamino)phenyl]-5-fluorobenzamide
CID 43710251
3-amino-4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 107812913
4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 55336483
4-(aminomethyl)-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 43710258
N-[5-chloro-2-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 60630528
3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide
CID 55104508

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-1H-1,2,4-triazole-5-carboxamide (CID 62807916) is 3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-1H-1,2,4-triazole-5-carboxamide is CN(C)c1ccc(Cl)cc1NC(=O)c1nc(N)n[nH]1.
What is the InChIKey of 3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is NZZOSGQYBQTIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN6O/c1-18(2)8-4-3-6(12)5-7(8)14-10(19)9-15-11(13)17-16-9/h3-5H,1-2H3,(H,14,19)(H3,13,15,16,17).
What are the key properties of 3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 280.72 g/mol, XLogP of 1.36, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 62807916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).