2-propan-2-yl-1,2,4-triazol-3-amine

C5H10N4 — CID 21129968

IUPAC2-propan-2-yl-1,2,4-triazol-3-amine
SMILESCC(C)n1ncnc1N
InChIInChI=1S/C5H10N4/c1-4(2)9-5(6)7-3-8-9/h3-4H,1-2H3,(H2,6,7,8)
InChIKeyIBNNFEVLLHJPJT-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.44
Rot. Bonds1

About 2-propan-2-yl-1,2,4-triazol-3-amine

2-propan-2-yl-1,2,4-triazol-3-amine (PubChem CID 21129968) has the molecular formula C5H10N4 and a molecular weight of 126.16 g/mol. Its IUPAC name is 2-propan-2-yl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-propan-2-yl-1,2,4-triazol-3-amine
PubChem CID21129968
Molecular FormulaC5H10N4
Molecular Weight126.16 g/mol
Exact Mass126.09
IUPAC Name2-propan-2-yl-1,2,4-triazol-3-amine
SMILESCC(C)n1ncnc1N
InChIInChI=1S/C5H10N4/c1-4(2)9-5(6)7-3-8-9/h3-4H,1-2H3,(H2,6,7,8)
InChIKeyIBNNFEVLLHJPJT-UHFFFAOYSA-N
XLogP0.44
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1,2,4-triazol-3-amine?
The IUPAC name of 2-propan-2-yl-1,2,4-triazol-3-amine (CID 21129968) is 2-propan-2-yl-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-propan-2-yl-1,2,4-triazol-3-amine?
The canonical SMILES for 2-propan-2-yl-1,2,4-triazol-3-amine is CC(C)n1ncnc1N.
What is the InChIKey of 2-propan-2-yl-1,2,4-triazol-3-amine?
The InChIKey is IBNNFEVLLHJPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4/c1-4(2)9-5(6)7-3-8-9/h3-4H,1-2H3,(H2,6,7,8).
What are the key properties of 2-propan-2-yl-1,2,4-triazol-3-amine?
2-propan-2-yl-1,2,4-triazol-3-amine has a molecular weight of 126.16 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1,2,4-triazol-3-amine is sourced from PubChem (CID 21129968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).