N-[(1-ethyltriazol-4-yl)methyl]propan-2-amine

C8H16N4 — CID 58011234

IUPACN-[(1-ethyltriazol-4-yl)methyl]propan-2-amine
SMILESCCn1cc(CNC(C)C)nn1
InChIInChI=1S/C8H16N4/c1-4-12-6-8(10-11-12)5-9-7(2)3/h6-7,9H,4-5H2,1-3H3
InChIKeyPSUZUQXAILCNOX-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.80
Rot. Bonds4

About N-[(1-ethyltriazol-4-yl)methyl]propan-2-amine

N-[(1-ethyltriazol-4-yl)methyl]propan-2-amine (PubChem CID 58011234) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is N-[(1-ethyltriazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1-ethyltriazol-4-yl)methyl]propan-2-amine
PubChem CID58011234
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC NameN-[(1-ethyltriazol-4-yl)methyl]propan-2-amine
SMILESCCn1cc(CNC(C)C)nn1
InChIInChI=1S/C8H16N4/c1-4-12-6-8(10-11-12)5-9-7(2)3/h6-7,9H,4-5H2,1-3H3
InChIKeyPSUZUQXAILCNOX-UHFFFAOYSA-N
XLogP0.80
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyltriazol-4-yl)methyl]propan-2-amine?
The IUPAC name of N-[(1-ethyltriazol-4-yl)methyl]propan-2-amine (CID 58011234) is N-[(1-ethyltriazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(1-ethyltriazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(1-ethyltriazol-4-yl)methyl]propan-2-amine is CCn1cc(CNC(C)C)nn1.
What is the InChIKey of N-[(1-ethyltriazol-4-yl)methyl]propan-2-amine?
The InChIKey is PSUZUQXAILCNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-4-12-6-8(10-11-12)5-9-7(2)3/h6-7,9H,4-5H2,1-3H3.
What are the key properties of N-[(1-ethyltriazol-4-yl)methyl]propan-2-amine?
N-[(1-ethyltriazol-4-yl)methyl]propan-2-amine has a molecular weight of 168.24 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyltriazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 58011234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).