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

C5H10N4 — CID 3352461

IUPACN-propan-2-yl-1,2,4-triazol-4-amine
SMILESCC(C)Nn1cnnc1
InChIInChI=1S/C5H10N4/c1-5(2)8-9-3-6-7-4-9/h3-5,8H,1-2H3
InChIKeyXEMZRAAZIMXEEO-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.23
Rot. Bonds2

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

N-propan-2-yl-1,2,4-triazol-4-amine (PubChem CID 3352461) has the molecular formula C5H10N4 and a molecular weight of 126.16 g/mol. Its IUPAC name is N-propan-2-yl-1,2,4-triazol-4-amine.

Molecular Properties

Compound NameN-propan-2-yl-1,2,4-triazol-4-amine
PubChem CID3352461
Molecular FormulaC5H10N4
Molecular Weight126.16 g/mol
Exact Mass126.09
IUPAC NameN-propan-2-yl-1,2,4-triazol-4-amine
SMILESCC(C)Nn1cnnc1
InChIInChI=1S/C5H10N4/c1-5(2)8-9-3-6-7-4-9/h3-5,8H,1-2H3
InChIKeyXEMZRAAZIMXEEO-UHFFFAOYSA-N
XLogP0.23
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1,2,4-triazol-4-amine?
The IUPAC name of N-propan-2-yl-1,2,4-triazol-4-amine (CID 3352461) is N-propan-2-yl-1,2,4-triazol-4-amine.
What is the SMILES notation for N-propan-2-yl-1,2,4-triazol-4-amine?
The canonical SMILES for N-propan-2-yl-1,2,4-triazol-4-amine is CC(C)Nn1cnnc1.
What is the InChIKey of N-propan-2-yl-1,2,4-triazol-4-amine?
The InChIKey is XEMZRAAZIMXEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4/c1-5(2)8-9-3-6-7-4-9/h3-5,8H,1-2H3.
What are the key properties of N-propan-2-yl-1,2,4-triazol-4-amine?
N-propan-2-yl-1,2,4-triazol-4-amine has a molecular weight of 126.16 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1,2,4-triazol-4-amine is sourced from PubChem (CID 3352461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).