3-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N,N-dimethylpropan-1-amine

C8H17N5 — CID 114526595

IUPAC3-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCn1cnc(CN)n1
InChIInChI=1S/C8H17N5/c1-12(2)4-3-5-13-7-10-8(6-9)11-13/h7H,3-6,9H2,1-2H3
InChIKeyHLERQYNBTLXGHF-UHFFFAOYSA-N
MW183.26 g/mol
LogP-0.31
Rot. Bonds5

About 3-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N,N-dimethylpropan-1-amine

3-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N,N-dimethylpropan-1-amine (PubChem CID 114526595) has the molecular formula C8H17N5 and a molecular weight of 183.26 g/mol. Its IUPAC name is 3-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N,N-dimethylpropan-1-amine
PubChem CID114526595
Molecular FormulaC8H17N5
Molecular Weight183.26 g/mol
Exact Mass183.15
IUPAC Name3-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCn1cnc(CN)n1
InChIInChI=1S/C8H17N5/c1-12(2)4-3-5-13-7-10-8(6-9)11-13/h7H,3-6,9H2,1-2H3
InChIKeyHLERQYNBTLXGHF-UHFFFAOYSA-N
XLogP-0.31
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.26
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N,N-dimethylpropan-1-amine (CID 114526595) is 3-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N,N-dimethylpropan-1-amine is CN(C)CCCn1cnc(CN)n1.
What is the InChIKey of 3-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is HLERQYNBTLXGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5/c1-12(2)4-3-5-13-7-10-8(6-9)11-13/h7H,3-6,9H2,1-2H3.
What are the key properties of 3-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N,N-dimethylpropan-1-amine?
3-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 183.26 g/mol, XLogP of -0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 114526595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).