5-but-1-en-2-yl-1H-1,2,4-triazol-3-amine

C6H10N4 — CID 123436016

IUPAC5-but-1-en-2-yl-1H-1,2,4-triazol-3-amine
SMILESC=C(CC)c1nc(N)n[nH]1
InChIInChI=1S/C6H10N4/c1-3-4(2)5-8-6(7)10-9-5/h2-3H2,1H3,(H3,7,8,9,10)
InChIKeySRGWIZVSYNLRPU-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.81
Rot. Bonds2

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

5-but-1-en-2-yl-1H-1,2,4-triazol-3-amine (PubChem CID 123436016) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is 5-but-1-en-2-yl-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-but-1-en-2-yl-1H-1,2,4-triazol-3-amine
PubChem CID123436016
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name5-but-1-en-2-yl-1H-1,2,4-triazol-3-amine
SMILESC=C(CC)c1nc(N)n[nH]1
InChIInChI=1S/C6H10N4/c1-3-4(2)5-8-6(7)10-9-5/h2-3H2,1H3,(H3,7,8,9,10)
InChIKeySRGWIZVSYNLRPU-UHFFFAOYSA-N
XLogP0.81
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-prop-2-enyl-1H-1,2,4-triazol-3-amine
CID 66693144
5-methyl-3-[(3E)-2-methylpenta-1,3-dien-3-yl]-1H-1,2,4-triazole
CID 117885874
N-methyl-5-[(3E)-penta-1,3-dien-3-yl]-1H-1,2,4-triazol-3-amine
CID 123450996
5-but-2-en-2-yl-1H-1,2,4-triazol-3-amine
CID 123608994
5-but-3-en-2-yl-1H-1,2,4-triazol-3-amine
CID 123684659
3-buta-1,3-dien-2-yl-5-ethyl-1H-1,2,4-triazole
CID 129101622
5-methyl-3-prop-1-en-2-yl-1H-1,2,4-triazole
CID 129101807
3-but-1-en-2-yl-5-methyl-1H-1,2,4-triazole
CID 132093925
5-cyclopropyl-3-prop-1-en-2-yl-1H-1,2,4-triazole
CID 134468964
5-buta-1,3-dien-2-yl-3-methoxy-1H-1,2,4-triazole
CID 135303222
5-but-1-en-2-yl-3-methoxy-1H-1,2,4-triazole
CID 137550972
3-but-1-en-2-yl-5-ethyl-1H-1,2,4-triazole
CID 139453868

Frequently Asked Questions

What is the IUPAC name of 5-but-1-en-2-yl-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-but-1-en-2-yl-1H-1,2,4-triazol-3-amine (CID 123436016) is 5-but-1-en-2-yl-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-but-1-en-2-yl-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-but-1-en-2-yl-1H-1,2,4-triazol-3-amine is C=C(CC)c1nc(N)n[nH]1.
What is the InChIKey of 5-but-1-en-2-yl-1H-1,2,4-triazol-3-amine?
The InChIKey is SRGWIZVSYNLRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4/c1-3-4(2)5-8-6(7)10-9-5/h2-3H2,1H3,(H3,7,8,9,10).
What are the key properties of 5-but-1-en-2-yl-1H-1,2,4-triazol-3-amine?
5-but-1-en-2-yl-1H-1,2,4-triazol-3-amine has a molecular weight of 138.17 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-1-en-2-yl-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 123436016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).