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

C5H10N4 — CID 2756463

IUPAC5-propan-2-yl-1H-1,2,4-triazol-3-amine
SMILESCC(C)c1nc(N)n[nH]1
InChIInChI=1S/C5H10N4/c1-3(2)4-7-5(6)9-8-4/h3H,1-2H3,(H3,6,7,8,9)
InChIKeyMDLFQCVYROBFIW-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.51
Rot. Bonds1

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

5-propan-2-yl-1H-1,2,4-triazol-3-amine (PubChem CID 2756463) has the molecular formula C5H10N4 and a molecular weight of 126.16 g/mol. Its IUPAC name is 5-propan-2-yl-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-propan-2-yl-1H-1,2,4-triazol-3-amine
PubChem CID2756463
Molecular FormulaC5H10N4
Molecular Weight126.16 g/mol
Exact Mass126.09
IUPAC Name5-propan-2-yl-1H-1,2,4-triazol-3-amine
SMILESCC(C)c1nc(N)n[nH]1
InChIInChI=1S/C5H10N4/c1-3(2)4-7-5(6)9-8-4/h3H,1-2H3,(H3,6,7,8,9)
InChIKeyMDLFQCVYROBFIW-UHFFFAOYSA-N
XLogP0.51
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Amino-5-methyl-4H-1,2,4-triazole
CID 234610
2-(5-ethyl-1H-1,2,4-triazol-3-yl)ethan-1-amine hydrochloride
CID 16682443
1H-1,2,4-Triazole, 3,5-dimethyl-
CID 139001
3,5-diethyl-1H-1,2,4-triazole
CID 15520387
3-Heptyl-1H-1,2,4-triazol-5-amine
CID 566931
3,5-Diethyl-4h-1,2,4-triazol-4-amine
CID 221248
5,5'-ethane-1,2-diylbis(1H-1,2,4-triazol-3-amine) dinitrate
CID 367266
5-[(5-amino-1H-1,2,4-triazol-3-yl)methyl]-1H-1,2,4-triazol-3-amine
CID 536693
3-(Beta-aminoethyl)-5-amino-1,2,4-triazole
CID 198348
3-ethyl-1H-1,2,4-triazol-5-amine
CID 1714204
3-Isopropyl-1H-1,2,4-triazole
CID 21547708
3-chloro-5-isopropyl-1H-1,2,4-triazole
CID 45492456

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-propan-2-yl-1H-1,2,4-triazol-3-amine (CID 2756463) is 5-propan-2-yl-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-propan-2-yl-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-propan-2-yl-1H-1,2,4-triazol-3-amine is CC(C)c1nc(N)n[nH]1.
What is the InChIKey of 5-propan-2-yl-1H-1,2,4-triazol-3-amine?
The InChIKey is MDLFQCVYROBFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4/c1-3(2)4-7-5(6)9-8-4/h3H,1-2H3,(H3,6,7,8,9).
What are the key properties of 5-propan-2-yl-1H-1,2,4-triazol-3-amine?
5-propan-2-yl-1H-1,2,4-triazol-3-amine has a molecular weight of 126.16 g/mol, XLogP of 0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 2756463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).