1-(2-pyrrolidin-1-ylethyl)-1,2,4-triazol-3-amine

C8H15N5 — CID 107912121

IUPAC1-(2-pyrrolidin-1-ylethyl)-1,2,4-triazol-3-amine
SMILESNc1ncn(CCN2CCCC2)n1
InChIInChI=1S/C8H15N5/c9-8-10-7-13(11-8)6-5-12-3-1-2-4-12/h7H,1-6H2,(H2,9,11)
InChIKeyOUCGEROWMMUVQD-UHFFFAOYSA-N
MW181.24 g/mol
LogP-0.04
Rot. Bonds3

About 1-(2-pyrrolidin-1-ylethyl)-1,2,4-triazol-3-amine

1-(2-pyrrolidin-1-ylethyl)-1,2,4-triazol-3-amine (PubChem CID 107912121) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-(2-pyrrolidin-1-ylethyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-(2-pyrrolidin-1-ylethyl)-1,2,4-triazol-3-amine
PubChem CID107912121
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC Name1-(2-pyrrolidin-1-ylethyl)-1,2,4-triazol-3-amine
SMILESNc1ncn(CCN2CCCC2)n1
InChIInChI=1S/C8H15N5/c9-8-10-7-13(11-8)6-5-12-3-1-2-4-12/h7H,1-6H2,(H2,9,11)
InChIKeyOUCGEROWMMUVQD-UHFFFAOYSA-N
XLogP-0.04
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(pyrrolidin-2-yl)methyl]-1H-1,2,4-triazole
CID 25248699
1-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazole
CID 3845762
1-(2-Pyrrolidinylethyl)-1H-1,2,4-triazole
CID 206232
1,1'-(1,4-Butanediyl)bis(1H-1,2,4-triazole)
CID 15877519
1-(pyrrolidin-3-yl)-1H-1,2,4-triazole
CID 19005995
3-Pyrrolidin-1-yl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 141381949
1-(Pyrrolidin-2-yl)-1h-1,2,4-triazole
CID 129696572
1-[2-(Dimethylamino)ethyl]-1H-1,2,4-triazol-3-amine
CID 60910687
1-[1-(2-Fluoroethyl)pyrrolidin-3-yl]-1,2,4-triazole
CID 130676228
1-(pyrrolidin-3-yl)-1H-1,2,4-triazole hydrochloride
CID 19005994
1-Pyrrolidin-3-yl-1,2,4-triazol-3-amine;dihydrochloride
CID 20088079
1-(Pyrrolidin-3-yl)-1H-1,2,4-triazol-3-amine
CID 20088080

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrrolidin-1-ylethyl)-1,2,4-triazol-3-amine?
The IUPAC name of 1-(2-pyrrolidin-1-ylethyl)-1,2,4-triazol-3-amine (CID 107912121) is 1-(2-pyrrolidin-1-ylethyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-(2-pyrrolidin-1-ylethyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 1-(2-pyrrolidin-1-ylethyl)-1,2,4-triazol-3-amine is Nc1ncn(CCN2CCCC2)n1.
What is the InChIKey of 1-(2-pyrrolidin-1-ylethyl)-1,2,4-triazol-3-amine?
The InChIKey is OUCGEROWMMUVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5/c9-8-10-7-13(11-8)6-5-12-3-1-2-4-12/h7H,1-6H2,(H2,9,11).
What are the key properties of 1-(2-pyrrolidin-1-ylethyl)-1,2,4-triazol-3-amine?
1-(2-pyrrolidin-1-ylethyl)-1,2,4-triazol-3-amine has a molecular weight of 181.24 g/mol, XLogP of -0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrrolidin-1-ylethyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 107912121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).