5-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide

C9H10N4O2 — CID 60982681

IUPAC5-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide
SMILESCc1ccc(C(=O)NCc2ncn[nH]2)o1
InChIInChI=1S/C9H10N4O2/c1-6-2-3-7(15-6)9(14)10-4-8-11-5-12-13-8/h2-3,5H,4H2,1H3,(H,10,14)(H,11,12,13)
InChIKeyCOLNYZKQSLTLEE-UHFFFAOYSA-N
MW206.21 g/mol
LogP0.64
Rot. Bonds3

About 5-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide

5-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide (PubChem CID 60982681) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 5-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide
PubChem CID60982681
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC Name5-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide
SMILESCc1ccc(C(=O)NCc2ncn[nH]2)o1
InChIInChI=1S/C9H10N4O2/c1-6-2-3-7(15-6)9(14)10-4-8-11-5-12-13-8/h2-3,5H,4H2,1H3,(H,10,14)(H,11,12,13)
InChIKeyCOLNYZKQSLTLEE-UHFFFAOYSA-N
XLogP0.64
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide
CID 61022740
2,4-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-oxazole-5-carboxamide
CID 79209532
2-(4-hydroxyphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 54883244
3,5-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 54883677
2,4,6-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 54883827
2-(3-methoxy-4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 54885247
5-(methylsulfanylmethyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]furan-2-carboxamide
CID 64548096
5-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]furan-2-carboxylic acid
CID 63317708
2,5-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-thiazole-4-carboxamide
CID 146121809
2-bromo-3-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 103854320
N-(1H-1,2,4-triazol-5-ylmethyl)pyrazine-2-carboxamide
CID 60981874
4-carbamothioyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64530382

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide?
The IUPAC name of 5-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide (CID 60982681) is 5-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide is Cc1ccc(C(=O)NCc2ncn[nH]2)o1.
What is the InChIKey of 5-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide?
The InChIKey is COLNYZKQSLTLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-6-2-3-7(15-6)9(14)10-4-8-11-5-12-13-8/h2-3,5H,4H2,1H3,(H,10,14)(H,11,12,13).
What are the key properties of 5-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide?
5-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide has a molecular weight of 206.21 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 60982681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).