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

C7H12N4 — CID 94917936

IUPAC4-methyl-3-[(3R)-pyrrolidin-3-yl]-1,2,4-triazole
SMILESCn1cnnc1[C@@H]1CCNC1
InChIInChI=1S/C7H12N4/c1-11-5-9-10-7(11)6-2-3-8-4-6/h5-6,8H,2-4H2,1H3/t6-/m1/s1
InChIKeyOIZMGVQEOVIMOL-ZCFIWIBFSA-N
MW152.20 g/mol
LogP-0.11
Rot. Bonds1

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

4-methyl-3-[(3R)-pyrrolidin-3-yl]-1,2,4-triazole (PubChem CID 94917936) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 4-methyl-3-[(3R)-pyrrolidin-3-yl]-1,2,4-triazole.

Molecular Properties

Compound Name4-methyl-3-[(3R)-pyrrolidin-3-yl]-1,2,4-triazole
PubChem CID94917936
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name4-methyl-3-[(3R)-pyrrolidin-3-yl]-1,2,4-triazole
SMILESCn1cnnc1[C@@H]1CCNC1
InChIInChI=1S/C7H12N4/c1-11-5-9-10-7(11)6-2-3-8-4-6/h5-6,8H,2-4H2,1H3/t6-/m1/s1
InChIKeyOIZMGVQEOVIMOL-ZCFIWIBFSA-N
XLogP-0.11
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 ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-3-[(3S)-pyrrolidin-3-yl]-1,2,4-triazole
CID 94917937
4-(4-methyl-1,2,4-triazol-3-yl)piperidine;hydrate;dihydrochloride
CID 75531205
(2R,4R)-2-methyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 176650185
(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 94552518
3-(4-cyclopentyl-1,2,4-triazol-3-yl)piperidine
CID 62710235
3-(4-butyl-1,2,4-triazol-3-yl)piperidine
CID 82470594
3-(4-ethyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride
CID 50988337
4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
CID 50988293
4-methyl-3-[[(3S)-pyrrolidin-3-yl]methyl]-1,2,4-triazole
CID 97011669
(3R)-3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]piperidine
CID 94554646
1-(4-methyl-1,2,4-triazol-3-yl)-1-pyrrolidin-3-ylethanol
CID 127016465
3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]piperidine
CID 62710906

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(3R)-pyrrolidin-3-yl]-1,2,4-triazole?
The IUPAC name of 4-methyl-3-[(3R)-pyrrolidin-3-yl]-1,2,4-triazole (CID 94917936) is 4-methyl-3-[(3R)-pyrrolidin-3-yl]-1,2,4-triazole.
What is the SMILES notation for 4-methyl-3-[(3R)-pyrrolidin-3-yl]-1,2,4-triazole?
The canonical SMILES for 4-methyl-3-[(3R)-pyrrolidin-3-yl]-1,2,4-triazole is Cn1cnnc1[C@@H]1CCNC1.
What is the InChIKey of 4-methyl-3-[(3R)-pyrrolidin-3-yl]-1,2,4-triazole?
The InChIKey is OIZMGVQEOVIMOL-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H12N4/c1-11-5-9-10-7(11)6-2-3-8-4-6/h5-6,8H,2-4H2,1H3/t6-/m1/s1.
What are the key properties of 4-methyl-3-[(3R)-pyrrolidin-3-yl]-1,2,4-triazole?
4-methyl-3-[(3R)-pyrrolidin-3-yl]-1,2,4-triazole has a molecular weight of 152.20 g/mol, XLogP of -0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(3R)-pyrrolidin-3-yl]-1,2,4-triazole is sourced from PubChem (CID 94917936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).