[1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-3-yl]methanamine

C10H19N5 — CID 62117540

IUPAC[1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-3-yl]methanamine
SMILESCC(c1nncn1C)N1CCC(CN)C1
InChIInChI=1S/C10H19N5/c1-8(10-13-12-7-14(10)2)15-4-3-9(5-11)6-15/h7-9H,3-6,11H2,1-2H3
InChIKeyPLPQYCBOIBAHCM-UHFFFAOYSA-N
MW209.30 g/mol
LogP0.16
Rot. Bonds3

About [1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-3-yl]methanamine

[1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-3-yl]methanamine (PubChem CID 62117540) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is [1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-3-yl]methanamine
PubChem CID62117540
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name[1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-3-yl]methanamine
SMILESCC(c1nncn1C)N1CCC(CN)C1
InChIInChI=1S/C10H19N5/c1-8(10-13-12-7-14(10)2)15-4-3-9(5-11)6-15/h7-9H,3-6,11H2,1-2H3
InChIKeyPLPQYCBOIBAHCM-UHFFFAOYSA-N
XLogP0.16
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-3-yl]methanamine (CID 62117540) is [1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-3-yl]methanamine is CC(c1nncn1C)N1CCC(CN)C1.
What is the InChIKey of [1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-3-yl]methanamine?
The InChIKey is PLPQYCBOIBAHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c1-8(10-13-12-7-14(10)2)15-4-3-9(5-11)6-15/h7-9H,3-6,11H2,1-2H3.
What are the key properties of [1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-3-yl]methanamine?
[1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-3-yl]methanamine has a molecular weight of 209.30 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 62117540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).