1-[5-(cyclohexylmethyl)-1H-1,2,4-triazol-3-yl]piperazine

C13H23N5 — CID 102792902

IUPAC1-[5-(cyclohexylmethyl)-1H-1,2,4-triazol-3-yl]piperazine
SMILESC1CCC(Cc2nc(N3CCNCC3)n[nH]2)CC1
InChIInChI=1S/C13H23N5/c1-2-4-11(5-3-1)10-12-15-13(17-16-12)18-8-6-14-7-9-18/h11,14H,1-10H2,(H,15,16,17)
InChIKeyLZFWFUZSVHBHME-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.34
Rot. Bonds3

About 1-[5-(cyclohexylmethyl)-1H-1,2,4-triazol-3-yl]piperazine

1-[5-(cyclohexylmethyl)-1H-1,2,4-triazol-3-yl]piperazine (PubChem CID 102792902) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-[5-(cyclohexylmethyl)-1H-1,2,4-triazol-3-yl]piperazine.

Molecular Properties

Compound Name1-[5-(cyclohexylmethyl)-1H-1,2,4-triazol-3-yl]piperazine
PubChem CID102792902
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name1-[5-(cyclohexylmethyl)-1H-1,2,4-triazol-3-yl]piperazine
SMILESC1CCC(Cc2nc(N3CCNCC3)n[nH]2)CC1
InChIInChI=1S/C13H23N5/c1-2-4-11(5-3-1)10-12-15-13(17-16-12)18-8-6-14-7-9-18/h11,14H,1-10H2,(H,15,16,17)
InChIKeyLZFWFUZSVHBHME-UHFFFAOYSA-N
XLogP1.34
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[5-(cyclohexylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800744
1-[1-[5-(cyclobutylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]-N-methylmethanamine
CID 103162652
1-[5-(2-cyclohexylethyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102798194
(3S)-1-[5-(2-cyclohexylethyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102797846
4-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]piperidine
CID 79606608
3-chloro-5-(cyclopentylmethyl)-1H-1,2,4-triazole
CID 130848106
5-(cyclobutylmethyl)-3-cyclohexyl-1H-1,2,4-triazole
CID 103164429
1-[5-(7-bicyclo[4.1.0]heptanyl)-1H-1,2,4-triazol-3-yl]-1,4-diazepane
CID 102796960
4-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]azepane
CID 84686106
3-methyl-1-[5-(oxan-2-ylmethyl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102798480
(3S)-3-methyl-1-[5-(oxan-2-ylmethyl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102798140
1-[5-(phenylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102792742

Frequently Asked Questions

What is the IUPAC name of 1-[5-(cyclohexylmethyl)-1H-1,2,4-triazol-3-yl]piperazine?
The IUPAC name of 1-[5-(cyclohexylmethyl)-1H-1,2,4-triazol-3-yl]piperazine (CID 102792902) is 1-[5-(cyclohexylmethyl)-1H-1,2,4-triazol-3-yl]piperazine.
What is the SMILES notation for 1-[5-(cyclohexylmethyl)-1H-1,2,4-triazol-3-yl]piperazine?
The canonical SMILES for 1-[5-(cyclohexylmethyl)-1H-1,2,4-triazol-3-yl]piperazine is C1CCC(Cc2nc(N3CCNCC3)n[nH]2)CC1.
What is the InChIKey of 1-[5-(cyclohexylmethyl)-1H-1,2,4-triazol-3-yl]piperazine?
The InChIKey is LZFWFUZSVHBHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-2-4-11(5-3-1)10-12-15-13(17-16-12)18-8-6-14-7-9-18/h11,14H,1-10H2,(H,15,16,17).
What are the key properties of 1-[5-(cyclohexylmethyl)-1H-1,2,4-triazol-3-yl]piperazine?
1-[5-(cyclohexylmethyl)-1H-1,2,4-triazol-3-yl]piperazine has a molecular weight of 249.36 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(cyclohexylmethyl)-1H-1,2,4-triazol-3-yl]piperazine is sourced from PubChem (CID 102792902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).