1,5-dimethyl-N-pyridin-3-yltriazole-4-carboxamide

C10H11N5O — CID 56943631

IUPAC1,5-dimethyl-N-pyridin-3-yltriazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccnc2)nnn1C
InChIInChI=1S/C10H11N5O/c1-7-9(13-14-15(7)2)10(16)12-8-4-3-5-11-6-8/h3-6H,1-2H3,(H,12,16)
InChIKeyYUUUVGIPGMWFBF-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.77
Rot. Bonds2

About 1,5-dimethyl-N-pyridin-3-yltriazole-4-carboxamide

1,5-dimethyl-N-pyridin-3-yltriazole-4-carboxamide (PubChem CID 56943631) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 1,5-dimethyl-N-pyridin-3-yltriazole-4-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-pyridin-3-yltriazole-4-carboxamide
PubChem CID56943631
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name1,5-dimethyl-N-pyridin-3-yltriazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccnc2)nnn1C
InChIInChI=1S/C10H11N5O/c1-7-9(13-14-15(7)2)10(16)12-8-4-3-5-11-6-8/h3-6H,1-2H3,(H,12,16)
InChIKeyYUUUVGIPGMWFBF-UHFFFAOYSA-N
XLogP0.77
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-methyl-N-pyridin-3-ylpyrazole-5-carboxamide
CID 65355553
5-amino-1-methyl-N-phenyltriazole-4-carboxamide
CID 105470817
1-methyl-N-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 82585468
5-methyl-1-phenyl-N-pyridin-3-ylpyrazole-4-carboxamide
CID 17464539
N-pyridin-3-ylbenzamide;dihydrochloride
CID 174671785
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756
4-tert-butyl-N-pyridin-3-ylbenzamide
CID 676176
ethane;3-methyl-N-pyridin-3-ylbenzamide
CID 145409327
1-methylpyrrolidine;pyridin-3-ylurea
CID 143564599
1-(2-methylpyrazol-3-yl)-3-pyridin-3-ylurea
CID 108813744
4-hydroxy-N-pyridin-3-ylbenzamide
CID 15965764
1-(4-methylphenyl)-3-pyridin-3-ylurea
CID 790714

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-pyridin-3-yltriazole-4-carboxamide?
The IUPAC name of 1,5-dimethyl-N-pyridin-3-yltriazole-4-carboxamide (CID 56943631) is 1,5-dimethyl-N-pyridin-3-yltriazole-4-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-pyridin-3-yltriazole-4-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-pyridin-3-yltriazole-4-carboxamide is Cc1c(C(=O)Nc2cccnc2)nnn1C.
What is the InChIKey of 1,5-dimethyl-N-pyridin-3-yltriazole-4-carboxamide?
The InChIKey is YUUUVGIPGMWFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c1-7-9(13-14-15(7)2)10(16)12-8-4-3-5-11-6-8/h3-6H,1-2H3,(H,12,16).
What are the key properties of 1,5-dimethyl-N-pyridin-3-yltriazole-4-carboxamide?
1,5-dimethyl-N-pyridin-3-yltriazole-4-carboxamide has a molecular weight of 217.23 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-pyridin-3-yltriazole-4-carboxamide is sourced from PubChem (CID 56943631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).