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

C8H16N4 — CID 61337752

IUPAC1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)propan-2-amine
SMILESCC(N)Cc1nc(C(C)C)n[nH]1
InChIInChI=1S/C8H16N4/c1-5(2)8-10-7(11-12-8)4-6(3)9/h5-6H,4,9H2,1-3H3,(H,10,11,12)
InChIKeyBWTFZYOLHMAEIW-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.82
Rot. Bonds3

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

1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)propan-2-amine (PubChem CID 61337752) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)propan-2-amine
PubChem CID61337752
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)propan-2-amine
SMILESCC(N)Cc1nc(C(C)C)n[nH]1
InChIInChI=1S/C8H16N4/c1-5(2)8-10-7(11-12-8)4-6(3)9/h5-6H,4,9H2,1-3H3,(H,10,11,12)
InChIKeyBWTFZYOLHMAEIW-UHFFFAOYSA-N
XLogP0.82
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 ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)propan-2-amine?
The IUPAC name of 1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)propan-2-amine (CID 61337752) is 1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)propan-2-amine.
What is the SMILES notation for 1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)propan-2-amine?
The canonical SMILES for 1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)propan-2-amine is CC(N)Cc1nc(C(C)C)n[nH]1.
What is the InChIKey of 1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)propan-2-amine?
The InChIKey is BWTFZYOLHMAEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-5(2)8-10-7(11-12-8)4-6(3)9/h5-6H,4,9H2,1-3H3,(H,10,11,12).
What are the key properties of 1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)propan-2-amine?
1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)propan-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 1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)propan-2-amine is sourced from PubChem (CID 61337752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).