N-(3-methylbutyl)-3-(1,2,4-triazol-1-yl)propanamide

C10H18N4O — CID 47018788

IUPACN-(3-methylbutyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C)CCNC(=O)CCn1cncn1
InChIInChI=1S/C10H18N4O/c1-9(2)3-5-12-10(15)4-6-14-8-11-7-13-14/h7-9H,3-6H2,1-2H3,(H,12,15)
InChIKeySXVCRAKTVLPFEF-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.83
Rot. Bonds6

About N-(3-methylbutyl)-3-(1,2,4-triazol-1-yl)propanamide

N-(3-methylbutyl)-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 47018788) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is N-(3-methylbutyl)-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID47018788
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC NameN-(3-methylbutyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C)CCNC(=O)CCn1cncn1
InChIInChI=1S/C10H18N4O/c1-9(2)3-5-12-10(15)4-6-14-8-11-7-13-14/h7-9H,3-6H2,1-2H3,(H,12,15)
InChIKeySXVCRAKTVLPFEF-UHFFFAOYSA-N
XLogP0.83
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-[3-(1,2,4-triazol-1-yl)propyl]propanamide
CID 47029800
3-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]butanamide
CID 47029801
3,3-dimethyl-N-[3-(1,2,4-triazol-1-yl)propyl]butanamide
CID 47029802
3-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-1-carboxamide
CID 53498427
N-(cyclopentylmethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 53520691
N-(oxolan-3-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 71896695
N-pentan-3-yl-3-(1,2,4-triazol-1-yl)propanamide
CID 51075629
N-[3-(1,2,4-triazol-1-yl)propyl]cyclopentanecarboxamide
CID 51079283
N-(2,6-dimethylheptan-4-yl)-3-(1,2,4-triazol-1-yl)propanamide
CID 71933440
N-[(2S)-3-methylbutan-2-yl]-3-(1,2,4-triazol-1-yl)propanamide
CID 94615339
N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 100232614
(2S)-N-cyclopropyl-2-methyl-N-(3-methylbutyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 164635860

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(3-methylbutyl)-3-(1,2,4-triazol-1-yl)propanamide (CID 47018788) is N-(3-methylbutyl)-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(3-methylbutyl)-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(3-methylbutyl)-3-(1,2,4-triazol-1-yl)propanamide is CC(C)CCNC(=O)CCn1cncn1.
What is the InChIKey of N-(3-methylbutyl)-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is SXVCRAKTVLPFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-9(2)3-5-12-10(15)4-6-14-8-11-7-13-14/h7-9H,3-6H2,1-2H3,(H,12,15).
What are the key properties of N-(3-methylbutyl)-3-(1,2,4-triazol-1-yl)propanamide?
N-(3-methylbutyl)-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 210.28 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 47018788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).