2-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]furan-3-carboxamide

C16H16N4O2 — CID 18132456

IUPAC2-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]furan-3-carboxamide
SMILESCc1occc1C(=O)NCc1ccc(Cn2cncn2)cc1
InChIInChI=1S/C16H16N4O2/c1-12-15(6-7-22-12)16(21)18-8-13-2-4-14(5-3-13)9-20-11-17-10-19-20/h2-7,10-11H,8-9H2,1H3,(H,18,21)
InChIKeyKQBLOIRNNSKOEQ-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.16
Rot. Bonds5

About 2-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]furan-3-carboxamide

2-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]furan-3-carboxamide (PubChem CID 18132456) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]furan-3-carboxamide
PubChem CID18132456
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name2-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]furan-3-carboxamide
SMILESCc1occc1C(=O)NCc1ccc(Cn2cncn2)cc1
InChIInChI=1S/C16H16N4O2/c1-12-15(6-7-22-12)16(21)18-8-13-2-4-14(5-3-13)9-20-11-17-10-19-20/h2-7,10-11H,8-9H2,1H3,(H,18,21)
InChIKeyKQBLOIRNNSKOEQ-UHFFFAOYSA-N
XLogP2.16
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 18132348
N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]furan-3-carboxamide
CID 18132522
2-propan-2-ylsulfanyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55556512
N-[[4-(aminomethyl)phenyl]methyl]-2-methylfuran-3-carboxamide
CID 54936543
2-(3,4-dimethylphenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 18132316
5-chloro-2-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 18126602
2,6-dimethyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]quinoline-4-carboxamide
CID 18132304
4-[(S)-methylsulfinyl]-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 94588492
N-[(4-methylphenyl)methyl]-3-(1,2,4-triazol-1-ylmethyl)benzamide
CID 46394848
2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
CID 25402935
2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 78847794
2-[(4-methylphenyl)methylsulfanyl]-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 18132336

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]furan-3-carboxamide (CID 18132456) is 2-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]furan-3-carboxamide is Cc1occc1C(=O)NCc1ccc(Cn2cncn2)cc1.
What is the InChIKey of 2-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]furan-3-carboxamide?
The InChIKey is KQBLOIRNNSKOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-12-15(6-7-22-12)16(21)18-8-13-2-4-14(5-3-13)9-20-11-17-10-19-20/h2-7,10-11H,8-9H2,1H3,(H,18,21).
What are the key properties of 2-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]furan-3-carboxamide?
2-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]furan-3-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]furan-3-carboxamide is sourced from PubChem (CID 18132456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).