(2R)-2-(4-propyl-1,2,4-triazol-3-yl)piperidine

C10H18N4 — CID 94552646

IUPAC(2R)-2-(4-propyl-1,2,4-triazol-3-yl)piperidine
SMILESCCCn1cnnc1[C@H]1CCCCN1
InChIInChI=1S/C10H18N4/c1-2-7-14-8-12-13-10(14)9-5-3-4-6-11-9/h8-9,11H,2-7H2,1H3/t9-/m1/s1
InChIKeyUYIMHMCWIFHTAL-SECBINFHSA-N
MW194.28 g/mol
LogP1.50
Rot. Bonds3

About (2R)-2-(4-propyl-1,2,4-triazol-3-yl)piperidine

(2R)-2-(4-propyl-1,2,4-triazol-3-yl)piperidine (PubChem CID 94552646) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is (2R)-2-(4-propyl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name(2R)-2-(4-propyl-1,2,4-triazol-3-yl)piperidine
PubChem CID94552646
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name(2R)-2-(4-propyl-1,2,4-triazol-3-yl)piperidine
SMILESCCCn1cnnc1[C@H]1CCCCN1
InChIInChI=1S/C10H18N4/c1-2-7-14-8-12-13-10(14)9-5-3-4-6-11-9/h8-9,11H,2-7H2,1H3/t9-/m1/s1
InChIKeyUYIMHMCWIFHTAL-SECBINFHSA-N
XLogP1.50
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 62406028
4-(2-methoxyethyl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-triazole
CID 94554648
2-(4-methyl-1,2,4-triazol-3-yl)azepane
CID 64562303
3-(4-propyl-1,2,4-triazol-3-yl)thiomorpholine
CID 82909389
(2R)-2-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine
CID 104915223
2-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
CID 62406030
3-(oxolan-2-yl)-4-propyl-1,2,4-triazole
CID 115394978
2-(4-propyl-1,2,4-triazol-3-yl)thiane 1,1-dioxide
CID 104523038
4-(furan-2-ylmethyl)-3-pyrrolidin-2-yl-1,2,4-triazole
CID 82472110
2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)piperidine
CID 62721773
4-fluoro-2-piperidin-2-yl-1-propylbenzimidazole
CID 60784787
3-(4-butyl-1,2,4-triazol-3-yl)piperidine
CID 82470594

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-propyl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of (2R)-2-(4-propyl-1,2,4-triazol-3-yl)piperidine (CID 94552646) is (2R)-2-(4-propyl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for (2R)-2-(4-propyl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for (2R)-2-(4-propyl-1,2,4-triazol-3-yl)piperidine is CCCn1cnnc1[C@H]1CCCCN1.
What is the InChIKey of (2R)-2-(4-propyl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is UYIMHMCWIFHTAL-SECBINFHSA-N. The full InChI is InChI=1S/C10H18N4/c1-2-7-14-8-12-13-10(14)9-5-3-4-6-11-9/h8-9,11H,2-7H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-2-(4-propyl-1,2,4-triazol-3-yl)piperidine?
(2R)-2-(4-propyl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 194.28 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-propyl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 94552646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).