N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-methylpyrrolidin-3-amine

C10H19N5 — CID 61462558

IUPACN-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-methylpyrrolidin-3-amine
SMILESCc1nnc(CNC2CCN(C)C2)n1C
InChIInChI=1S/C10H19N5/c1-8-12-13-10(15(8)3)6-11-9-4-5-14(2)7-9/h9,11H,4-7H2,1-3H3
InChIKeyZMHYSTYTJIQNJN-UHFFFAOYSA-N
MW209.30 g/mol
LogP-0.08
Rot. Bonds3

About N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-methylpyrrolidin-3-amine

N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-methylpyrrolidin-3-amine (PubChem CID 61462558) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-methylpyrrolidin-3-amine
PubChem CID61462558
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC NameN-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-methylpyrrolidin-3-amine
SMILESCc1nnc(CNC2CCN(C)C2)n1C
InChIInChI=1S/C10H19N5/c1-8-12-13-10(15(8)3)6-11-9-4-5-14(2)7-9/h9,11H,4-7H2,1-3H3
InChIKeyZMHYSTYTJIQNJN-UHFFFAOYSA-N
XLogP-0.08
TPSA45.98 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 ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-methylpyrrolidin-3-amine?
The IUPAC name of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-methylpyrrolidin-3-amine (CID 61462558) is N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-methylpyrrolidin-3-amine?
The canonical SMILES for N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-methylpyrrolidin-3-amine is Cc1nnc(CNC2CCN(C)C2)n1C.
What is the InChIKey of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-methylpyrrolidin-3-amine?
The InChIKey is ZMHYSTYTJIQNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c1-8-12-13-10(15(8)3)6-11-9-4-5-14(2)7-9/h9,11H,4-7H2,1-3H3.
What are the key properties of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-methylpyrrolidin-3-amine?
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-methylpyrrolidin-3-amine has a molecular weight of 209.30 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 61462558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).