N-propan-2-yl-1H-1,2,4-triazol-5-amine

C5H10N4 — CID 20738483

IUPACN-propan-2-yl-1H-1,2,4-triazol-5-amine
SMILESCC(C)Nc1ncn[nH]1
InChIInChI=1S/C5H10N4/c1-4(2)8-5-6-3-7-9-5/h3-4H,1-2H3,(H2,6,7,8,9)
InChIKeyGWQUCFHUXTWXMN-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.62
Rot. Bonds2

About N-propan-2-yl-1H-1,2,4-triazol-5-amine

N-propan-2-yl-1H-1,2,4-triazol-5-amine (PubChem CID 20738483) has the molecular formula C5H10N4 and a molecular weight of 126.16 g/mol. Its IUPAC name is N-propan-2-yl-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound NameN-propan-2-yl-1H-1,2,4-triazol-5-amine
PubChem CID20738483
Molecular FormulaC5H10N4
Molecular Weight126.16 g/mol
Exact Mass126.09
IUPAC NameN-propan-2-yl-1H-1,2,4-triazol-5-amine
SMILESCC(C)Nc1ncn[nH]1
InChIInChI=1S/C5H10N4/c1-4(2)8-5-6-3-7-9-5/h3-4H,1-2H3,(H2,6,7,8,9)
InChIKeyGWQUCFHUXTWXMN-UHFFFAOYSA-N
XLogP0.62
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1H-1,2,4-triazol-5-amine?
The IUPAC name of N-propan-2-yl-1H-1,2,4-triazol-5-amine (CID 20738483) is N-propan-2-yl-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for N-propan-2-yl-1H-1,2,4-triazol-5-amine?
The canonical SMILES for N-propan-2-yl-1H-1,2,4-triazol-5-amine is CC(C)Nc1ncn[nH]1.
What is the InChIKey of N-propan-2-yl-1H-1,2,4-triazol-5-amine?
The InChIKey is GWQUCFHUXTWXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4/c1-4(2)8-5-6-3-7-9-5/h3-4H,1-2H3,(H2,6,7,8,9).
What are the key properties of N-propan-2-yl-1H-1,2,4-triazol-5-amine?
N-propan-2-yl-1H-1,2,4-triazol-5-amine has a molecular weight of 126.16 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 20738483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).