3-methyl-5-[(2R)-pyrrolidin-2-yl]-1H-1,2,4-triazole

C7H12N4 — CID 136589176

IUPAC3-methyl-5-[(2R)-pyrrolidin-2-yl]-1H-1,2,4-triazole
SMILESCc1n[nH]c([C@H]2CCCN2)n1
InChIInChI=1S/C7H12N4/c1-5-9-7(11-10-5)6-3-2-4-8-6/h6,8H,2-4H2,1H3,(H,9,10,11)/t6-/m1/s1
InChIKeyNYWMQSMKGVCQED-ZCFIWIBFSA-N
MW152.20 g/mol
LogP0.54
Rot. Bonds1

About 3-methyl-5-[(2R)-pyrrolidin-2-yl]-1H-1,2,4-triazole

3-methyl-5-[(2R)-pyrrolidin-2-yl]-1H-1,2,4-triazole (PubChem CID 136589176) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 3-methyl-5-[(2R)-pyrrolidin-2-yl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-methyl-5-[(2R)-pyrrolidin-2-yl]-1H-1,2,4-triazole
PubChem CID136589176
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name3-methyl-5-[(2R)-pyrrolidin-2-yl]-1H-1,2,4-triazole
SMILESCc1n[nH]c([C@H]2CCCN2)n1
InChIInChI=1S/C7H12N4/c1-5-9-7(11-10-5)6-3-2-4-8-6/h6,8H,2-4H2,1H3,(H,9,10,11)/t6-/m1/s1
InChIKeyNYWMQSMKGVCQED-ZCFIWIBFSA-N
XLogP0.54
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-propan-2-yl-5-pyrrolidin-2-yl-1H-1,2,4-triazole
CID 61336970
3-cyclobutyl-5-pyrrolidin-2-yl-1H-1,2,4-triazole
CID 84664294
5-[(2S)-pyrrolidin-2-yl]-1H-1,2,4-triazole-3-carboxylic acid
CID 125449320
5-methyl-4-propan-2-yl-2-pyrrolidin-2-yl-1H-imidazole
CID 82234810
3,5-dimethyl-4-[(2R)-pyrrolidin-2-yl]-1H-pyrazole
CID 96633250
3-(4-tert-butylphenyl)-5-pyrrolidin-2-yl-1H-1,2,4-triazole
CID 82463448
2-methyl-4-[(2S)-pyrrolidin-2-yl]-1,3-oxazole
CID 82417113
5-fluoro-6-methyl-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 83857633
5,6-dimethyl-2-piperidin-2-yl-1H-benzimidazole
CID 62336920
3-(2,4-dichlorophenyl)-5-pyrrolidin-2-yl-1H-1,2,4-triazole
CID 82569078
3-(3-bromophenyl)-5-pyrrolidin-2-yl-1H-1,2,4-triazole
CID 82569086
3-[5-[(2S)-pyrrolidin-2-yl]-1H-1,2,4-triazol-3-yl]pyridine;dihydrochloride
CID 146064513

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(2R)-pyrrolidin-2-yl]-1H-1,2,4-triazole?
The IUPAC name of 3-methyl-5-[(2R)-pyrrolidin-2-yl]-1H-1,2,4-triazole (CID 136589176) is 3-methyl-5-[(2R)-pyrrolidin-2-yl]-1H-1,2,4-triazole.
What is the SMILES notation for 3-methyl-5-[(2R)-pyrrolidin-2-yl]-1H-1,2,4-triazole?
The canonical SMILES for 3-methyl-5-[(2R)-pyrrolidin-2-yl]-1H-1,2,4-triazole is Cc1n[nH]c([C@H]2CCCN2)n1.
What is the InChIKey of 3-methyl-5-[(2R)-pyrrolidin-2-yl]-1H-1,2,4-triazole?
The InChIKey is NYWMQSMKGVCQED-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H12N4/c1-5-9-7(11-10-5)6-3-2-4-8-6/h6,8H,2-4H2,1H3,(H,9,10,11)/t6-/m1/s1.
What are the key properties of 3-methyl-5-[(2R)-pyrrolidin-2-yl]-1H-1,2,4-triazole?
3-methyl-5-[(2R)-pyrrolidin-2-yl]-1H-1,2,4-triazole has a molecular weight of 152.20 g/mol, XLogP of 0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(2R)-pyrrolidin-2-yl]-1H-1,2,4-triazole is sourced from PubChem (CID 136589176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).