5-methylidene-6-prop-2-enylcyclohexa-1,3-diene;2H-triazole

C12H15N3 — CID 174823510

IUPAC5-methylidene-6-prop-2-enylcyclohexa-1,3-diene;2H-triazole
SMILESC=CCC1C=CC=CC1=C.c1cn[nH]n1
InChIInChI=1S/C10H12.C2H3N3/c1-3-6-10-8-5-4-7-9(10)2;1-2-4-5-3-1/h3-5,7-8,10H,1-2,6H2;1-2H,(H,3,4,5)
InChIKeyKCZSNEXKKHDZTR-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.67
Rot. Bonds2

About 5-methylidene-6-prop-2-enylcyclohexa-1,3-diene;2H-triazole

5-methylidene-6-prop-2-enylcyclohexa-1,3-diene;2H-triazole (PubChem CID 174823510) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 5-methylidene-6-prop-2-enylcyclohexa-1,3-diene;2H-triazole.

Molecular Properties

Compound Name5-methylidene-6-prop-2-enylcyclohexa-1,3-diene;2H-triazole
PubChem CID174823510
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name5-methylidene-6-prop-2-enylcyclohexa-1,3-diene;2H-triazole
SMILESC=CCC1C=CC=CC1=C.c1cn[nH]n1
InChIInChI=1S/C10H12.C2H3N3/c1-3-6-10-8-5-4-7-9(10)2;1-2-4-5-3-1/h3-5,7-8,10H,1-2,6H2;1-2H,(H,3,4,5)
InChIKeyKCZSNEXKKHDZTR-UHFFFAOYSA-N
XLogP2.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-prop-2-enyl-3H-azepin-2-amine
CID 141023882
5-ethylidene-6-prop-2-enylcyclohexa-1,3-diene;sulfuric acid
CID 175271309
5-methylidene-6-propylcyclohexa-1,3-diene
CID 163513277
6-methyl-5-methylidene-2-prop-2-enyl-2H-pyran
CID 123155935
sulfane;2H-triazole
CID 155277747
2-prop-2-enylcyclopent-4-ene-1,3-dione
CID 12877518
5-hydroxy-6-methyl-3-prop-2-enyl-3H-pyridin-4-one
CID 67830666
1-(6-methylidenecyclohexa-2,4-dien-1-yl)ethanone
CID 130027554
(6-methylidenecyclohexa-2,4-dien-1-yl)phosphonic acid
CID 69017474
trimethyl-[(E)-(4-prop-2-enyl-4H-naphthalen-1-ylidene)methyl]silane
CID 164679289
1-hex-5-enyl-3aH-indene
CID 22899034
2-methyl-1-[4-(2-methyl-3-prop-2-enyl-3H-pyrrol-1-ium-1-yl)butyl]-3-prop-2-enyl-3H-pyrrol-1-ium
CID 171628658

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-6-prop-2-enylcyclohexa-1,3-diene;2H-triazole?
The IUPAC name of 5-methylidene-6-prop-2-enylcyclohexa-1,3-diene;2H-triazole (CID 174823510) is 5-methylidene-6-prop-2-enylcyclohexa-1,3-diene;2H-triazole.
What is the SMILES notation for 5-methylidene-6-prop-2-enylcyclohexa-1,3-diene;2H-triazole?
The canonical SMILES for 5-methylidene-6-prop-2-enylcyclohexa-1,3-diene;2H-triazole is C=CCC1C=CC=CC1=C.c1cn[nH]n1.
What is the InChIKey of 5-methylidene-6-prop-2-enylcyclohexa-1,3-diene;2H-triazole?
The InChIKey is KCZSNEXKKHDZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.C2H3N3/c1-3-6-10-8-5-4-7-9(10)2;1-2-4-5-3-1/h3-5,7-8,10H,1-2,6H2;1-2H,(H,3,4,5).
What are the key properties of 5-methylidene-6-prop-2-enylcyclohexa-1,3-diene;2H-triazole?
5-methylidene-6-prop-2-enylcyclohexa-1,3-diene;2H-triazole has a molecular weight of 201.27 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-6-prop-2-enylcyclohexa-1,3-diene;2H-triazole is sourced from PubChem (CID 174823510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).