4-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-1-propylpiperidine

C14H24N4 — CID 50957153

IUPAC4-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-1-propylpiperidine
SMILESCCCN1CCC(Cc2nc(C3CC3)n[nH]2)CC1
InChIInChI=1S/C14H24N4/c1-2-7-18-8-5-11(6-9-18)10-13-15-14(17-16-13)12-3-4-12/h11-12H,2-10H2,1H3,(H,15,16,17)
InChIKeyLZFBTXNHUOCHPT-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.35
Rot. Bonds5

About 4-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-1-propylpiperidine

4-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-1-propylpiperidine (PubChem CID 50957153) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-1-propylpiperidine.

Molecular Properties

Compound Name4-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-1-propylpiperidine
PubChem CID50957153
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name4-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-1-propylpiperidine
SMILESCCCN1CCC(Cc2nc(C3CC3)n[nH]2)CC1
InChIInChI=1S/C14H24N4/c1-2-7-18-8-5-11(6-9-18)10-13-15-14(17-16-13)12-3-4-12/h11-12H,2-10H2,1H3,(H,15,16,17)
InChIKeyLZFBTXNHUOCHPT-UHFFFAOYSA-N
XLogP2.35
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(cyclobutylmethyl)-3-cyclohexyl-1H-1,2,4-triazole
CID 103164429
4-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]azepane
CID 84686106
4-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine
CID 61279978
4-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]piperidine
CID 79606608
[3-(4-propylcyclohexyl)-1H-1,2,4-triazol-5-yl]methanamine
CID 65403012
2-[3-(4-propylcyclohexyl)-1H-1,2,4-triazol-5-yl]acetonitrile
CID 65402220
3-cyclohexyl-5-nonyl-1H-1,2,4-triazole
CID 65427882
1-propyl-4-[(1-propylpiperidin-4-yl)methyl]piperidine
CID 172611487
1-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]piperazine
CID 55058169
5-(chloromethyl)-3-(3-methylcyclopentyl)-1H-1,2,4-triazole
CID 79600002
4-(5-benzyl-1H-1,2,4-triazol-3-yl)-1-(2-methylpropyl)piperidine
CID 174588681
5-(4-butylcyclohexyl)-3-cyclopropyl-1H-1,2,4-triazole
CID 61338878

Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-1-propylpiperidine?
The IUPAC name of 4-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-1-propylpiperidine (CID 50957153) is 4-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-1-propylpiperidine.
What is the SMILES notation for 4-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-1-propylpiperidine?
The canonical SMILES for 4-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-1-propylpiperidine is CCCN1CCC(Cc2nc(C3CC3)n[nH]2)CC1.
What is the InChIKey of 4-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-1-propylpiperidine?
The InChIKey is LZFBTXNHUOCHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-2-7-18-8-5-11(6-9-18)10-13-15-14(17-16-13)12-3-4-12/h11-12H,2-10H2,1H3,(H,15,16,17).
What are the key properties of 4-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-1-propylpiperidine?
4-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-1-propylpiperidine has a molecular weight of 248.37 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-1-propylpiperidine is sourced from PubChem (CID 50957153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).