1-(2-methyl-1,2,4-triazol-3-yl)-3-(3-piperidin-1-ylbutyl)urea

C13H24N6O — CID 75484662

IUPAC1-(2-methyl-1,2,4-triazol-3-yl)-3-(3-piperidin-1-ylbutyl)urea
SMILESCC(CCNC(=O)Nc1ncnn1C)N1CCCCC1
InChIInChI=1S/C13H24N6O/c1-11(19-8-4-3-5-9-19)6-7-14-13(20)17-12-15-10-16-18(12)2/h10-11H,3-9H2,1-2H3,(H2,14,15,16,17,20)
InChIKeyLXSJSOZAOYDIOX-UHFFFAOYSA-N
MW280.38 g/mol
LogP1.20
Rot. Bonds5

About 1-(2-methyl-1,2,4-triazol-3-yl)-3-(3-piperidin-1-ylbutyl)urea

1-(2-methyl-1,2,4-triazol-3-yl)-3-(3-piperidin-1-ylbutyl)urea (PubChem CID 75484662) has the molecular formula C13H24N6O and a molecular weight of 280.38 g/mol. Its IUPAC name is 1-(2-methyl-1,2,4-triazol-3-yl)-3-(3-piperidin-1-ylbutyl)urea.

Molecular Properties

Compound Name1-(2-methyl-1,2,4-triazol-3-yl)-3-(3-piperidin-1-ylbutyl)urea
PubChem CID75484662
Molecular FormulaC13H24N6O
Molecular Weight280.38 g/mol
Exact Mass280.20
IUPAC Name1-(2-methyl-1,2,4-triazol-3-yl)-3-(3-piperidin-1-ylbutyl)urea
SMILESCC(CCNC(=O)Nc1ncnn1C)N1CCCCC1
InChIInChI=1S/C13H24N6O/c1-11(19-8-4-3-5-9-19)6-7-14-13(20)17-12-15-10-16-18(12)2/h10-11H,3-9H2,1-2H3,(H2,14,15,16,17,20)
InChIKeyLXSJSOZAOYDIOX-UHFFFAOYSA-N
XLogP1.20
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-hexyl-1,2,4-triazole-1-carboxamide
CID 137637830
3-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-1-carboxamide
CID 53498427
3-pyrrolidin-1-yl-N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-1-carboxamide
CID 53504535
4-piperidin-1-yl-N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-1-carboxamide
CID 53517842
N-(1-propyl-1H-1,2,4-triazol-3-yl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 46992670
1-[2-(4-Methylpiperidin-1-yl)ethyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea
CID 75435226
1-(2-Tert-butyl-1,2,4-triazol-3-yl)-3-cyclopentylurea
CID 122131658
1-(1-Cyclohexyl-1,2,4-triazol-3-yl)-3-(2-piperidin-1-ylethyl)urea
CID 126787239
4-(1,2,4-triazol-1-yl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide
CID 75506490
3-methyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 84592171
(3R)-3-methyl-N-[(2S)-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 97606963
(3S)-3-methyl-N-[(2S)-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 97606964

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,2,4-triazol-3-yl)-3-(3-piperidin-1-ylbutyl)urea?
The IUPAC name of 1-(2-methyl-1,2,4-triazol-3-yl)-3-(3-piperidin-1-ylbutyl)urea (CID 75484662) is 1-(2-methyl-1,2,4-triazol-3-yl)-3-(3-piperidin-1-ylbutyl)urea.
What is the SMILES notation for 1-(2-methyl-1,2,4-triazol-3-yl)-3-(3-piperidin-1-ylbutyl)urea?
The canonical SMILES for 1-(2-methyl-1,2,4-triazol-3-yl)-3-(3-piperidin-1-ylbutyl)urea is CC(CCNC(=O)Nc1ncnn1C)N1CCCCC1.
What is the InChIKey of 1-(2-methyl-1,2,4-triazol-3-yl)-3-(3-piperidin-1-ylbutyl)urea?
The InChIKey is LXSJSOZAOYDIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O/c1-11(19-8-4-3-5-9-19)6-7-14-13(20)17-12-15-10-16-18(12)2/h10-11H,3-9H2,1-2H3,(H2,14,15,16,17,20).
What are the key properties of 1-(2-methyl-1,2,4-triazol-3-yl)-3-(3-piperidin-1-ylbutyl)urea?
1-(2-methyl-1,2,4-triazol-3-yl)-3-(3-piperidin-1-ylbutyl)urea has a molecular weight of 280.38 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,2,4-triazol-3-yl)-3-(3-piperidin-1-ylbutyl)urea is sourced from PubChem (CID 75484662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).