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

C8H16N4 — CID 64672682

IUPAC1-(3-ethyl-1H-1,2,4-triazol-5-yl)-2-methylpropan-2-amine
SMILESCCc1n[nH]c(CC(C)(C)N)n1
InChIInChI=1S/C8H16N4/c1-4-6-10-7(12-11-6)5-8(2,3)9/h4-5,9H2,1-3H3,(H,10,11,12)
InChIKeySZZPARGRAMTFNQ-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.65
Rot. Bonds3

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

1-(3-ethyl-1H-1,2,4-triazol-5-yl)-2-methylpropan-2-amine (PubChem CID 64672682) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(3-ethyl-1H-1,2,4-triazol-5-yl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-ethyl-1H-1,2,4-triazol-5-yl)-2-methylpropan-2-amine
PubChem CID64672682
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name1-(3-ethyl-1H-1,2,4-triazol-5-yl)-2-methylpropan-2-amine
SMILESCCc1n[nH]c(CC(C)(C)N)n1
InChIInChI=1S/C8H16N4/c1-4-6-10-7(12-11-6)5-8(2,3)9/h4-5,9H2,1-3H3,(H,10,11,12)
InChIKeySZZPARGRAMTFNQ-UHFFFAOYSA-N
XLogP0.65
TPSA67.59 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 ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1H-1,2,4-triazol-5-yl)-2-methylpropan-2-amine?
The IUPAC name of 1-(3-ethyl-1H-1,2,4-triazol-5-yl)-2-methylpropan-2-amine (CID 64672682) is 1-(3-ethyl-1H-1,2,4-triazol-5-yl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(3-ethyl-1H-1,2,4-triazol-5-yl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(3-ethyl-1H-1,2,4-triazol-5-yl)-2-methylpropan-2-amine is CCc1n[nH]c(CC(C)(C)N)n1.
What is the InChIKey of 1-(3-ethyl-1H-1,2,4-triazol-5-yl)-2-methylpropan-2-amine?
The InChIKey is SZZPARGRAMTFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-4-6-10-7(12-11-6)5-8(2,3)9/h4-5,9H2,1-3H3,(H,10,11,12).
What are the key properties of 1-(3-ethyl-1H-1,2,4-triazol-5-yl)-2-methylpropan-2-amine?
1-(3-ethyl-1H-1,2,4-triazol-5-yl)-2-methylpropan-2-amine has a molecular weight of 168.24 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1H-1,2,4-triazol-5-yl)-2-methylpropan-2-amine is sourced from PubChem (CID 64672682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).