N-[2-(4,5-dimethyltriazol-1-yl)ethyl]propan-2-amine

C9H18N4 — CID 121367696

IUPACN-[2-(4,5-dimethyltriazol-1-yl)ethyl]propan-2-amine
SMILESCc1nnn(CCNC(C)C)c1C
InChIInChI=1S/C9H18N4/c1-7(2)10-5-6-13-9(4)8(3)11-12-13/h7,10H,5-6H2,1-4H3
InChIKeySSBVGHTXAAYWKL-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.89
Rot. Bonds4

About N-[2-(4,5-dimethyltriazol-1-yl)ethyl]propan-2-amine

N-[2-(4,5-dimethyltriazol-1-yl)ethyl]propan-2-amine (PubChem CID 121367696) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is N-[2-(4,5-dimethyltriazol-1-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(4,5-dimethyltriazol-1-yl)ethyl]propan-2-amine
PubChem CID121367696
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC NameN-[2-(4,5-dimethyltriazol-1-yl)ethyl]propan-2-amine
SMILESCc1nnn(CCNC(C)C)c1C
InChIInChI=1S/C9H18N4/c1-7(2)10-5-6-13-9(4)8(3)11-12-13/h7,10H,5-6H2,1-4H3
InChIKeySSBVGHTXAAYWKL-UHFFFAOYSA-N
XLogP0.89
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethyltriazol-1-yl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(4,5-dimethyltriazol-1-yl)ethyl]propan-2-amine (CID 121367696) is N-[2-(4,5-dimethyltriazol-1-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(4,5-dimethyltriazol-1-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(4,5-dimethyltriazol-1-yl)ethyl]propan-2-amine is Cc1nnn(CCNC(C)C)c1C.
What is the InChIKey of N-[2-(4,5-dimethyltriazol-1-yl)ethyl]propan-2-amine?
The InChIKey is SSBVGHTXAAYWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-7(2)10-5-6-13-9(4)8(3)11-12-13/h7,10H,5-6H2,1-4H3.
What are the key properties of N-[2-(4,5-dimethyltriazol-1-yl)ethyl]propan-2-amine?
N-[2-(4,5-dimethyltriazol-1-yl)ethyl]propan-2-amine has a molecular weight of 182.27 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethyltriazol-1-yl)ethyl]propan-2-amine is sourced from PubChem (CID 121367696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).