5-methyl-1-(pyrrolidin-3-ylmethyl)triazole

C8H14N4 — CID 115013206

IUPAC5-methyl-1-(pyrrolidin-3-ylmethyl)triazole
SMILESCc1cnnn1CC1CCNC1
InChIInChI=1S/C8H14N4/c1-7-4-10-11-12(7)6-8-2-3-9-5-8/h4,8-9H,2-3,5-6H2,1H3
InChIKeyBTCBUYIEIIAGBQ-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.20
Rot. Bonds2

About 5-methyl-1-(pyrrolidin-3-ylmethyl)triazole

5-methyl-1-(pyrrolidin-3-ylmethyl)triazole (PubChem CID 115013206) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 5-methyl-1-(pyrrolidin-3-ylmethyl)triazole.

Molecular Properties

Compound Name5-methyl-1-(pyrrolidin-3-ylmethyl)triazole
PubChem CID115013206
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name5-methyl-1-(pyrrolidin-3-ylmethyl)triazole
SMILESCc1cnnn1CC1CCNC1
InChIInChI=1S/C8H14N4/c1-7-4-10-11-12(7)6-8-2-3-9-5-8/h4,8-9H,2-3,5-6H2,1H3
InChIKeyBTCBUYIEIIAGBQ-UHFFFAOYSA-N
XLogP0.20
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methyl-1-(pyrrolidin-3-ylmethyl)triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(cyclohexylmethyl)-5-methyltriazole
CID 139378897
5-phenyl-1-(pyrrolidin-3-ylmethyl)triazole
CID 115036794
4-[(5-bromotriazol-1-yl)methyl]piperidine
CID 84802804
1-propan-2-yl-5-(pyrrolidin-3-ylmethyl)triazole
CID 84733214
3-[(5-phenyltriazol-1-yl)methyl]piperidine
CID 115044790
1-cyclopropyl-5-methyl-2-(pyrrolidin-3-ylmethyl)imidazole
CID 90488069
2-methyl-6-(pyrrolidin-3-ylmethyl)pyrazine
CID 135135525
5-methyl-1-(pyrrolidin-3-ylmethyl)pyrimidin-2-one
CID 63205847
1,5-dimethyl-3-(pyrrolidin-3-ylmethyl)pyrazole
CID 83482272
2-methyl-5-[[(3S)-pyrrolidin-3-yl]methyl]pyrazine
CID 157065422
5-fluoro-2-(pyrrolidin-3-ylmethyl)pyrimidine;hydrochloride
CID 139490791
(4aS,7S,7aS)-7-[(5-methyltriazol-1-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine
CID 124912626

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(pyrrolidin-3-ylmethyl)triazole?
The IUPAC name of 5-methyl-1-(pyrrolidin-3-ylmethyl)triazole (CID 115013206) is 5-methyl-1-(pyrrolidin-3-ylmethyl)triazole.
What is the SMILES notation for 5-methyl-1-(pyrrolidin-3-ylmethyl)triazole?
The canonical SMILES for 5-methyl-1-(pyrrolidin-3-ylmethyl)triazole is Cc1cnnn1CC1CCNC1.
What is the InChIKey of 5-methyl-1-(pyrrolidin-3-ylmethyl)triazole?
The InChIKey is BTCBUYIEIIAGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-7-4-10-11-12(7)6-8-2-3-9-5-8/h4,8-9H,2-3,5-6H2,1H3.
What are the key properties of 5-methyl-1-(pyrrolidin-3-ylmethyl)triazole?
5-methyl-1-(pyrrolidin-3-ylmethyl)triazole has a molecular weight of 166.23 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(pyrrolidin-3-ylmethyl)triazole is sourced from PubChem (CID 115013206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).