4-[(3R)-5-methylpyrrolidin-3-yl]-1,2,4-triazole

C7H12N4 — CID 89151158

IUPAC4-[(3R)-5-methylpyrrolidin-3-yl]-1,2,4-triazole
SMILESCC1C[C@@H](n2cnnc2)CN1
InChIInChI=1S/C7H12N4/c1-6-2-7(3-8-6)11-4-9-10-5-11/h4-8H,2-3H2,1H3/t6?,7-/m1/s1
InChIKeyNKBVIMKZIAKMTR-COBSHVIPSA-N
MW152.20 g/mol
LogP0.20
Rot. Bonds1

About 4-[(3R)-5-methylpyrrolidin-3-yl]-1,2,4-triazole

4-[(3R)-5-methylpyrrolidin-3-yl]-1,2,4-triazole (PubChem CID 89151158) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 4-[(3R)-5-methylpyrrolidin-3-yl]-1,2,4-triazole.

Molecular Properties

Compound Name4-[(3R)-5-methylpyrrolidin-3-yl]-1,2,4-triazole
PubChem CID89151158
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name4-[(3R)-5-methylpyrrolidin-3-yl]-1,2,4-triazole
SMILESCC1C[C@@H](n2cnnc2)CN1
InChIInChI=1S/C7H12N4/c1-6-2-7(3-8-6)11-4-9-10-5-11/h4-8H,2-3H2,1H3/t6?,7-/m1/s1
InChIKeyNKBVIMKZIAKMTR-COBSHVIPSA-N
XLogP0.20
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-propylpyrrolidin-3-yl)-1,2,4-triazole
CID 163478839
3-(5-methylpyrrolidin-3-yl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 130528585
3-methyl-1-(5-methylpyrrolidin-3-yl)piperidine
CID 130528543
1,2,5,7-tetramethyl-1,4-diazepane
CID 22088644
4-methyl-3-azabicyclo[4.1.0]heptane
CID 21339025
4-bromo-2-methylpyrrolidine
CID 90961953
4-cyclohex-3-en-1-yl-1,2,4-triazole;ethane
CID 145406355
1-(5-methylpyrrolidin-3-yl)-2-propylpyrrolidine
CID 131196022
4-(1,2,4-triazol-4-yl)cyclohexan-1-one
CID 68879711
5-(1,2,4-triazol-4-yl)-3-azabicyclo[4.1.0]heptane
CID 142733441
(5S,7R)-5,7-dimethyl-1,4-diazepane
CID 55288229
2-methyl-4-(2-methylpropyl)pyrrolidine
CID 82594318

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-5-methylpyrrolidin-3-yl]-1,2,4-triazole?
The IUPAC name of 4-[(3R)-5-methylpyrrolidin-3-yl]-1,2,4-triazole (CID 89151158) is 4-[(3R)-5-methylpyrrolidin-3-yl]-1,2,4-triazole.
What is the SMILES notation for 4-[(3R)-5-methylpyrrolidin-3-yl]-1,2,4-triazole?
The canonical SMILES for 4-[(3R)-5-methylpyrrolidin-3-yl]-1,2,4-triazole is CC1C[C@@H](n2cnnc2)CN1.
What is the InChIKey of 4-[(3R)-5-methylpyrrolidin-3-yl]-1,2,4-triazole?
The InChIKey is NKBVIMKZIAKMTR-COBSHVIPSA-N. The full InChI is InChI=1S/C7H12N4/c1-6-2-7(3-8-6)11-4-9-10-5-11/h4-8H,2-3H2,1H3/t6?,7-/m1/s1.
What are the key properties of 4-[(3R)-5-methylpyrrolidin-3-yl]-1,2,4-triazole?
4-[(3R)-5-methylpyrrolidin-3-yl]-1,2,4-triazole has a molecular weight of 152.20 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-5-methylpyrrolidin-3-yl]-1,2,4-triazole is sourced from PubChem (CID 89151158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).