1-methyl-3-propyl-5-pyrrolidin-2-yl-1,2,4-triazole

C10H18N4 — CID 62721052

IUPAC1-methyl-3-propyl-5-pyrrolidin-2-yl-1,2,4-triazole
SMILESCCCc1nc(C2CCCN2)n(C)n1
InChIInChI=1S/C10H18N4/c1-3-5-9-12-10(14(2)13-9)8-6-4-7-11-8/h8,11H,3-7H2,1-2H3
InChIKeyJFASUKLYYWEJIC-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.19
Rot. Bonds3

About 1-methyl-3-propyl-5-pyrrolidin-2-yl-1,2,4-triazole

1-methyl-3-propyl-5-pyrrolidin-2-yl-1,2,4-triazole (PubChem CID 62721052) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-methyl-3-propyl-5-pyrrolidin-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name1-methyl-3-propyl-5-pyrrolidin-2-yl-1,2,4-triazole
PubChem CID62721052
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name1-methyl-3-propyl-5-pyrrolidin-2-yl-1,2,4-triazole
SMILESCCCc1nc(C2CCCN2)n(C)n1
InChIInChI=1S/C10H18N4/c1-3-5-9-12-10(14(2)13-9)8-6-4-7-11-8/h8,11H,3-7H2,1-2H3
InChIKeyJFASUKLYYWEJIC-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)piperidine
CID 62721773
3-cyclopentyl-1-methyl-5-pyrrolidin-2-yl-1,2,4-triazole
CID 62722373
2-(2,5-dimethyl-1,2,4-triazol-3-yl)azepane
CID 64562693
(2R)-2-(4-propyl-1,2,4-triazol-3-yl)piperidine
CID 94552646
2-propyl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853422
1,3,5-trimethyl-4-[(2R)-pyrrolidin-2-yl]pyrazole
CID 95566954
1-hexyl-2-pyrrolidin-2-ylbenzimidazole
CID 175346334
3-ethyl-1-methyl-5-pyrrolidin-3-yl-1,2,4-triazole
CID 63032199
1,3-dimethyl-5-[(2R)-pyrrolidin-2-yl]pyrazole
CID 42575745
2-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 62406028
2-[2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine
CID 62722485
1-(4-propylphenyl)-5-pyrrolidin-2-ylimidazole
CID 114702494

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propyl-5-pyrrolidin-2-yl-1,2,4-triazole?
The IUPAC name of 1-methyl-3-propyl-5-pyrrolidin-2-yl-1,2,4-triazole (CID 62721052) is 1-methyl-3-propyl-5-pyrrolidin-2-yl-1,2,4-triazole.
What is the SMILES notation for 1-methyl-3-propyl-5-pyrrolidin-2-yl-1,2,4-triazole?
The canonical SMILES for 1-methyl-3-propyl-5-pyrrolidin-2-yl-1,2,4-triazole is CCCc1nc(C2CCCN2)n(C)n1.
What is the InChIKey of 1-methyl-3-propyl-5-pyrrolidin-2-yl-1,2,4-triazole?
The InChIKey is JFASUKLYYWEJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-3-5-9-12-10(14(2)13-9)8-6-4-7-11-8/h8,11H,3-7H2,1-2H3.
What are the key properties of 1-methyl-3-propyl-5-pyrrolidin-2-yl-1,2,4-triazole?
1-methyl-3-propyl-5-pyrrolidin-2-yl-1,2,4-triazole has a molecular weight of 194.28 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propyl-5-pyrrolidin-2-yl-1,2,4-triazole is sourced from PubChem (CID 62721052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).