2-(5-ethyl-1H-1,2,4-triazol-3-yl)-N-methylpropan-2-amine

C8H16N4 — CID 62817122

IUPAC2-(5-ethyl-1H-1,2,4-triazol-3-yl)-N-methylpropan-2-amine
SMILESCCc1nc(C(C)(C)NC)n[nH]1
InChIInChI=1S/C8H16N4/c1-5-6-10-7(12-11-6)8(2,3)9-4/h9H,5H2,1-4H3,(H,10,11,12)
InChIKeyYIGXNQYZANVFRC-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.82
Rot. Bonds3

About 2-(5-ethyl-1H-1,2,4-triazol-3-yl)-N-methylpropan-2-amine

2-(5-ethyl-1H-1,2,4-triazol-3-yl)-N-methylpropan-2-amine (PubChem CID 62817122) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-(5-ethyl-1H-1,2,4-triazol-3-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-(5-ethyl-1H-1,2,4-triazol-3-yl)-N-methylpropan-2-amine
PubChem CID62817122
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name2-(5-ethyl-1H-1,2,4-triazol-3-yl)-N-methylpropan-2-amine
SMILESCCc1nc(C(C)(C)NC)n[nH]1
InChIInChI=1S/C8H16N4/c1-5-6-10-7(12-11-6)8(2,3)9-4/h9H,5H2,1-4H3,(H,10,11,12)
InChIKeyYIGXNQYZANVFRC-UHFFFAOYSA-N
XLogP0.82
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-1H-1,2,4-triazol-3-yl)-N-methylpropan-2-amine?
The IUPAC name of 2-(5-ethyl-1H-1,2,4-triazol-3-yl)-N-methylpropan-2-amine (CID 62817122) is 2-(5-ethyl-1H-1,2,4-triazol-3-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 2-(5-ethyl-1H-1,2,4-triazol-3-yl)-N-methylpropan-2-amine?
The canonical SMILES for 2-(5-ethyl-1H-1,2,4-triazol-3-yl)-N-methylpropan-2-amine is CCc1nc(C(C)(C)NC)n[nH]1.
What is the InChIKey of 2-(5-ethyl-1H-1,2,4-triazol-3-yl)-N-methylpropan-2-amine?
The InChIKey is YIGXNQYZANVFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-5-6-10-7(12-11-6)8(2,3)9-4/h9H,5H2,1-4H3,(H,10,11,12).
What are the key properties of 2-(5-ethyl-1H-1,2,4-triazol-3-yl)-N-methylpropan-2-amine?
2-(5-ethyl-1H-1,2,4-triazol-3-yl)-N-methylpropan-2-amine has a molecular weight of 168.24 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-1H-1,2,4-triazol-3-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 62817122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).