1-propan-2-yl-3-prop-1-en-2-yl-1,2,4-triazole

C8H13N3 — CID 59796068

IUPAC1-propan-2-yl-3-prop-1-en-2-yl-1,2,4-triazole
SMILESC=C(C)c1ncn(C(C)C)n1
InChIInChI=1S/C8H13N3/c1-6(2)8-9-5-11(10-8)7(3)4/h5,7H,1H2,2-4H3
InChIKeySFBOOHJXZNFJCP-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.89
Rot. Bonds2

About 1-propan-2-yl-3-prop-1-en-2-yl-1,2,4-triazole

1-propan-2-yl-3-prop-1-en-2-yl-1,2,4-triazole (PubChem CID 59796068) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-propan-2-yl-3-prop-1-en-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name1-propan-2-yl-3-prop-1-en-2-yl-1,2,4-triazole
PubChem CID59796068
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name1-propan-2-yl-3-prop-1-en-2-yl-1,2,4-triazole
SMILESC=C(C)c1ncn(C(C)C)n1
InChIInChI=1S/C8H13N3/c1-6(2)8-9-5-11(10-8)7(3)4/h5,7H,1H2,2-4H3
InChIKeySFBOOHJXZNFJCP-UHFFFAOYSA-N
XLogP1.89
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-prop-1-en-2-yl-1,2,4-triazole?
The IUPAC name of 1-propan-2-yl-3-prop-1-en-2-yl-1,2,4-triazole (CID 59796068) is 1-propan-2-yl-3-prop-1-en-2-yl-1,2,4-triazole.
What is the SMILES notation for 1-propan-2-yl-3-prop-1-en-2-yl-1,2,4-triazole?
The canonical SMILES for 1-propan-2-yl-3-prop-1-en-2-yl-1,2,4-triazole is C=C(C)c1ncn(C(C)C)n1.
What is the InChIKey of 1-propan-2-yl-3-prop-1-en-2-yl-1,2,4-triazole?
The InChIKey is SFBOOHJXZNFJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-6(2)8-9-5-11(10-8)7(3)4/h5,7H,1H2,2-4H3.
What are the key properties of 1-propan-2-yl-3-prop-1-en-2-yl-1,2,4-triazole?
1-propan-2-yl-3-prop-1-en-2-yl-1,2,4-triazole has a molecular weight of 151.21 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-prop-1-en-2-yl-1,2,4-triazole is sourced from PubChem (CID 59796068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).