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

C13H25N5 — CID 56712434

IUPACN-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,2-dimethylpyrrolidin-3-amine
SMILESCc1nc(C)n(CCCNC2CCNC2(C)C)n1
InChIInChI=1S/C13H25N5/c1-10-16-11(2)18(17-10)9-5-7-14-12-6-8-15-13(12,3)4/h12,14-15H,5-9H2,1-4H3
InChIKeyCIOZALULDRVSJI-UHFFFAOYSA-N
MW251.38 g/mol
LogP1.02
Rot. Bonds5

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

N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,2-dimethylpyrrolidin-3-amine (PubChem CID 56712434) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,2-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,2-dimethylpyrrolidin-3-amine
PubChem CID56712434
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC NameN-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,2-dimethylpyrrolidin-3-amine
SMILESCc1nc(C)n(CCCNC2CCNC2(C)C)n1
InChIInChI=1S/C13H25N5/c1-10-16-11(2)18(17-10)9-5-7-14-12-6-8-15-13(12,3)4/h12,14-15H,5-9H2,1-4H3
InChIKeyCIOZALULDRVSJI-UHFFFAOYSA-N
XLogP1.02
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,2-dimethylpyrrolidin-3-amine?
The IUPAC name of N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,2-dimethylpyrrolidin-3-amine (CID 56712434) is N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,2-dimethylpyrrolidin-3-amine.
What is the SMILES notation for N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,2-dimethylpyrrolidin-3-amine?
The canonical SMILES for N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,2-dimethylpyrrolidin-3-amine is Cc1nc(C)n(CCCNC2CCNC2(C)C)n1.
What is the InChIKey of N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,2-dimethylpyrrolidin-3-amine?
The InChIKey is CIOZALULDRVSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-10-16-11(2)18(17-10)9-5-7-14-12-6-8-15-13(12,3)4/h12,14-15H,5-9H2,1-4H3.
What are the key properties of N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,2-dimethylpyrrolidin-3-amine?
N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,2-dimethylpyrrolidin-3-amine has a molecular weight of 251.38 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,2-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 56712434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).