1-propan-2-yl-5-prop-1-en-2-yl-1,2,4-triazole

C8H13N3 — CID 115011837

IUPAC1-propan-2-yl-5-prop-1-en-2-yl-1,2,4-triazole
SMILESC=C(C)c1ncnn1C(C)C
InChIInChI=1S/C8H13N3/c1-6(2)8-9-5-10-11(8)7(3)4/h5,7H,1H2,2-4H3
InChIKeyPTRYQTJJXDRLGJ-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.89
Rot. Bonds2

About 1-propan-2-yl-5-prop-1-en-2-yl-1,2,4-triazole

1-propan-2-yl-5-prop-1-en-2-yl-1,2,4-triazole (PubChem CID 115011837) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-propan-2-yl-5-prop-1-en-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name1-propan-2-yl-5-prop-1-en-2-yl-1,2,4-triazole
PubChem CID115011837
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name1-propan-2-yl-5-prop-1-en-2-yl-1,2,4-triazole
SMILESC=C(C)c1ncnn1C(C)C
InChIInChI=1S/C8H13N3/c1-6(2)8-9-5-10-11(8)7(3)4/h5,7H,1H2,2-4H3
InChIKeyPTRYQTJJXDRLGJ-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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Related Compounds

2-amino-1-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-one
CID 84768773
(2-propan-2-yl-1,2,4-triazol-3-yl)boronic acid
CID 126978964
but-3-enyl 2-propan-2-yl-1,2,4-triazole-3-carboximidate
CID 167047185
(2-fluoro-5-methylphenyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanone
CID 112744468
(Z)-2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)prop-2-en-1-amine
CID 103392253
1-(2-propan-2-yl-1,2,4-triazol-3-yl)butane-2,3-diol
CID 103452773
5-(methoxymethyl)-1-propan-2-yl-1,2,4-triazole
CID 58602880
[4-(ethylamino)oxolan-3-yl]-(2-propan-2-yl-1,2,4-triazol-3-yl)methanone
CID 112744696
4-(2-propan-2-yl-1,2,4-triazol-3-yl)pyridine
CID 67734802
5-(4-bromophenyl)-1-propan-2-yl-1,2,4-triazole
CID 166934681
1,1-dimethoxy-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-one
CID 79493427
1-(2-propan-2-yl-1,2,4-triazol-3-yl)hexane-2,3-diol
CID 103454995

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-5-prop-1-en-2-yl-1,2,4-triazole?
The IUPAC name of 1-propan-2-yl-5-prop-1-en-2-yl-1,2,4-triazole (CID 115011837) is 1-propan-2-yl-5-prop-1-en-2-yl-1,2,4-triazole.
What is the SMILES notation for 1-propan-2-yl-5-prop-1-en-2-yl-1,2,4-triazole?
The canonical SMILES for 1-propan-2-yl-5-prop-1-en-2-yl-1,2,4-triazole is C=C(C)c1ncnn1C(C)C.
What is the InChIKey of 1-propan-2-yl-5-prop-1-en-2-yl-1,2,4-triazole?
The InChIKey is PTRYQTJJXDRLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-6(2)8-9-5-10-11(8)7(3)4/h5,7H,1H2,2-4H3.
What are the key properties of 1-propan-2-yl-5-prop-1-en-2-yl-1,2,4-triazole?
1-propan-2-yl-5-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-5-prop-1-en-2-yl-1,2,4-triazole is sourced from PubChem (CID 115011837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).