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

C8H16N4 — CID 24711520

IUPAC1-(4-ethyl-1,2,4-triazol-3-yl)-2-methylpropan-1-amine
SMILESCCn1cnnc1C(N)C(C)C
InChIInChI=1S/C8H16N4/c1-4-12-5-10-11-8(12)7(9)6(2)3/h5-7H,4,9H2,1-3H3
InChIKeyMQXZMANDZSQKAH-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.95
Rot. Bonds3

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

1-(4-ethyl-1,2,4-triazol-3-yl)-2-methylpropan-1-amine (PubChem CID 24711520) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(4-ethyl-1,2,4-triazol-3-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(4-ethyl-1,2,4-triazol-3-yl)-2-methylpropan-1-amine
PubChem CID24711520
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name1-(4-ethyl-1,2,4-triazol-3-yl)-2-methylpropan-1-amine
SMILESCCn1cnnc1C(N)C(C)C
InChIInChI=1S/C8H16N4/c1-4-12-5-10-11-8(12)7(9)6(2)3/h5-7H,4,9H2,1-3H3
InChIKeyMQXZMANDZSQKAH-UHFFFAOYSA-N
XLogP0.95
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-1,2,4-triazol-3-yl)-2-methylpropan-1-amine?
The IUPAC name of 1-(4-ethyl-1,2,4-triazol-3-yl)-2-methylpropan-1-amine (CID 24711520) is 1-(4-ethyl-1,2,4-triazol-3-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 1-(4-ethyl-1,2,4-triazol-3-yl)-2-methylpropan-1-amine?
The canonical SMILES for 1-(4-ethyl-1,2,4-triazol-3-yl)-2-methylpropan-1-amine is CCn1cnnc1C(N)C(C)C.
What is the InChIKey of 1-(4-ethyl-1,2,4-triazol-3-yl)-2-methylpropan-1-amine?
The InChIKey is MQXZMANDZSQKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-4-12-5-10-11-8(12)7(9)6(2)3/h5-7H,4,9H2,1-3H3.
What are the key properties of 1-(4-ethyl-1,2,4-triazol-3-yl)-2-methylpropan-1-amine?
1-(4-ethyl-1,2,4-triazol-3-yl)-2-methylpropan-1-amine has a molecular weight of 168.24 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-1,2,4-triazol-3-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 24711520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).