3-methyl-1-(pyrrolidin-1-ylmethyl)-1,2,4-triazole

C8H14N4 — CID 5101574

IUPAC3-methyl-1-(pyrrolidin-1-ylmethyl)-1,2,4-triazole
SMILESCc1ncn(CN2CCCC2)n1
InChIInChI=1S/C8H14N4/c1-8-9-6-12(10-8)7-11-4-2-3-5-11/h6H,2-5,7H2,1H3
InChIKeyGGBQQTQXUBAANB-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.64
Rot. Bonds2

About 3-methyl-1-(pyrrolidin-1-ylmethyl)-1,2,4-triazole

3-methyl-1-(pyrrolidin-1-ylmethyl)-1,2,4-triazole (PubChem CID 5101574) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 3-methyl-1-(pyrrolidin-1-ylmethyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-methyl-1-(pyrrolidin-1-ylmethyl)-1,2,4-triazole
PubChem CID5101574
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name3-methyl-1-(pyrrolidin-1-ylmethyl)-1,2,4-triazole
SMILESCc1ncn(CN2CCCC2)n1
InChIInChI=1S/C8H14N4/c1-8-9-6-12(10-8)7-11-4-2-3-5-11/h6H,2-5,7H2,1H3
InChIKeyGGBQQTQXUBAANB-UHFFFAOYSA-N
XLogP0.64
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1H-1,2,4-triazole, 5-methyl-1-(1-pyrrolidinylmethyl)-
CID 638978
4-ethyl-3-methyl-4H-1,2,4-triazole
CID 12278549
6,7-Dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 51072271
3-methyl-4-propyl-4H-1,2,4-triazole
CID 53870217
N,N-bis[(1-methyl-1,2,4-triazol-3-yl)methyl]propan-2-amine
CID 155563785
1-Butyl-5-(1,2,4-triazol-1-ylmethyl)tetrazole
CID 56790425
({1-[(1-ethyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidin-3-yl}methyl)amine
CID 56878274
1-butyl-3-cyclopropyl-5-[3-(1H-1,2,4-triazol-1-yl)propyl]-1H-1,2,4-triazole
CID 72917669
3-Ethyl-5-[2-(1,2,4-triazol-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 131931768
1-[(5-Methyl-4-propyl-1,2,4-triazol-3-yl)methyl]-1,2,4-triazole-3-carbonitrile
CID 132374907
Ethane;5-methyl-1-(3,3,3-trifluoropropyl)-1,2,4-triazole
CID 157030912
1-(3-Fluoropropyl)-5-methyl-1,2,4-triazole
CID 157031651

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(pyrrolidin-1-ylmethyl)-1,2,4-triazole?
The IUPAC name of 3-methyl-1-(pyrrolidin-1-ylmethyl)-1,2,4-triazole (CID 5101574) is 3-methyl-1-(pyrrolidin-1-ylmethyl)-1,2,4-triazole.
What is the SMILES notation for 3-methyl-1-(pyrrolidin-1-ylmethyl)-1,2,4-triazole?
The canonical SMILES for 3-methyl-1-(pyrrolidin-1-ylmethyl)-1,2,4-triazole is Cc1ncn(CN2CCCC2)n1.
What is the InChIKey of 3-methyl-1-(pyrrolidin-1-ylmethyl)-1,2,4-triazole?
The InChIKey is GGBQQTQXUBAANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-8-9-6-12(10-8)7-11-4-2-3-5-11/h6H,2-5,7H2,1H3.
What are the key properties of 3-methyl-1-(pyrrolidin-1-ylmethyl)-1,2,4-triazole?
3-methyl-1-(pyrrolidin-1-ylmethyl)-1,2,4-triazole has a molecular weight of 166.23 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(pyrrolidin-1-ylmethyl)-1,2,4-triazole is sourced from PubChem (CID 5101574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).