N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-(1,2,4-triazol-1-yl)butanamide

C12H19N7O — CID 124750445

IUPACN-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-(1,2,4-triazol-1-yl)butanamide
SMILESCC[C@H](NC(=O)CCCn1cncn1)c1ncnn1C
InChIInChI=1S/C12H19N7O/c1-3-10(12-14-8-15-18(12)2)17-11(20)5-4-6-19-9-13-7-16-19/h7-10H,3-6H2,1-2H3,(H,17,20)/t10-/m0/s1
InChIKeyCTUIMWFZEICLAU-JTQLQIEISA-N
MW277.33 g/mol
LogP0.45
Rot. Bonds7

About N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-(1,2,4-triazol-1-yl)butanamide

N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-(1,2,4-triazol-1-yl)butanamide (PubChem CID 124750445) has the molecular formula C12H19N7O and a molecular weight of 277.33 g/mol. Its IUPAC name is N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-(1,2,4-triazol-1-yl)butanamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-(1,2,4-triazol-1-yl)butanamide
PubChem CID124750445
Molecular FormulaC12H19N7O
Molecular Weight277.33 g/mol
Exact Mass277.17
IUPAC NameN-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-(1,2,4-triazol-1-yl)butanamide
SMILESCC[C@H](NC(=O)CCCn1cncn1)c1ncnn1C
InChIInChI=1S/C12H19N7O/c1-3-10(12-14-8-15-18(12)2)17-11(20)5-4-6-19-9-13-7-16-19/h7-10H,3-6H2,1-2H3,(H,17,20)/t10-/m0/s1
InChIKeyCTUIMWFZEICLAU-JTQLQIEISA-N
XLogP0.45
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-(1,2,4-triazol-1-yl)butanamide with MolForge

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Related Compounds

N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 125438783
N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-morpholin-4-ylbutanamide
CID 125439899
N-[(1R)-1-(1,3-thiazol-2-yl)propyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 99628577
N-methyl-4-(1,2,4-triazol-1-yl)butanamide
CID 61037544
4-(1,2,4-triazol-1-yl)butanehydrazide
CID 63572043
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide
CID 122566164
N-(2,2-dimethyl-1-phenylpropyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 86829051
N-[(1R)-3-methyl-1-pyridin-3-ylbutyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 125165548
N-[(1R)-1-phenylbut-3-ynyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 97057406
(2S)-4-methyl-2-[4-(1,2,4-triazol-1-yl)butanoylamino]pentanamide
CID 131948202
N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 122559825
2-[3-(1,2,4-triazol-1-yl)propanoylamino]butanoic acid
CID 43469556

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-(1,2,4-triazol-1-yl)butanamide?
The IUPAC name of N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-(1,2,4-triazol-1-yl)butanamide (CID 124750445) is N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-(1,2,4-triazol-1-yl)butanamide.
What is the SMILES notation for N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-(1,2,4-triazol-1-yl)butanamide?
The canonical SMILES for N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-(1,2,4-triazol-1-yl)butanamide is CC[C@H](NC(=O)CCCn1cncn1)c1ncnn1C.
What is the InChIKey of N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-(1,2,4-triazol-1-yl)butanamide?
The InChIKey is CTUIMWFZEICLAU-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19N7O/c1-3-10(12-14-8-15-18(12)2)17-11(20)5-4-6-19-9-13-7-16-19/h7-10H,3-6H2,1-2H3,(H,17,20)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-(1,2,4-triazol-1-yl)butanamide?
N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-(1,2,4-triazol-1-yl)butanamide has a molecular weight of 277.33 g/mol, XLogP of 0.45, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-(1,2,4-triazol-1-yl)butanamide is sourced from PubChem (CID 124750445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).