N-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide

C15H17N7O — CID 167807626

IUPACN-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCc1nc(-c2cccc(CNC(=O)CCn3cncn3)c2)n[nH]1
InChIInChI=1S/C15H17N7O/c1-11-19-15(21-20-11)13-4-2-3-12(7-13)8-17-14(23)5-6-22-10-16-9-18-22/h2-4,7,9-10H,5-6,8H2,1H3,(H,17,23)(H,19,20,21)
InChIKeyDCOGFHGHSCWKSI-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.08
Rot. Bonds6

About N-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide

N-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 167807626) has the molecular formula C15H17N7O and a molecular weight of 311.35 g/mol. Its IUPAC name is N-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID167807626
Molecular FormulaC15H17N7O
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC NameN-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCc1nc(-c2cccc(CNC(=O)CCn3cncn3)c2)n[nH]1
InChIInChI=1S/C15H17N7O/c1-11-19-15(21-20-11)13-4-2-3-12(7-13)8-17-14(23)5-6-22-10-16-9-18-22/h2-4,7,9-10H,5-6,8H2,1H3,(H,17,23)(H,19,20,21)
InChIKeyDCOGFHGHSCWKSI-UHFFFAOYSA-N
XLogP1.08
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-fluorophenyl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 47161044
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CID 87041917
2-(4-acetamidophenyl)sulfanyl-N-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methyl]acetamide
CID 75391835
N-(pyridin-3-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 35582382
N-[(1-ethylpyrazol-4-yl)methyl]-1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methanamine
CID 84591689
N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 42525375
3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]aniline
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N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 32627824
2-(methylamino)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60928275
N-[(3-methoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 78780331
2-methoxy-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60911506
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Frequently Asked Questions

What is the IUPAC name of N-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide (CID 167807626) is N-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide is Cc1nc(-c2cccc(CNC(=O)CCn3cncn3)c2)n[nH]1.
What is the InChIKey of N-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is DCOGFHGHSCWKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O/c1-11-19-15(21-20-11)13-4-2-3-12(7-13)8-17-14(23)5-6-22-10-16-9-18-22/h2-4,7,9-10H,5-6,8H2,1H3,(H,17,23)(H,19,20,21).
What are the key properties of N-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide?
N-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 311.35 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 167807626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).