(4E,5E)-5-ethylidene-4-prop-2-enylidene-6-(1,2,4-triazol-1-yl)pyrimidine

C11H11N5 — CID 134443327

IUPAC(4E,5E)-5-ethylidene-4-prop-2-enylidene-6-(1,2,4-triazol-1-yl)pyrimidine
SMILESC=C/C=c1/ncnc(-n2cncn2)/c1=C/C
InChIInChI=1S/C11H11N5/c1-3-5-10-9(4-2)11(14-7-13-10)16-8-12-6-15-16/h3-8H,1H2,2H3/b9-4+,10-5+
InChIKeyQAHDINJEGUIRJH-LUZURFALSA-N
MW213.24 g/mol
LogP-0.18
Rot. Bonds2

About (4E,5E)-5-ethylidene-4-prop-2-enylidene-6-(1,2,4-triazol-1-yl)pyrimidine

(4E,5E)-5-ethylidene-4-prop-2-enylidene-6-(1,2,4-triazol-1-yl)pyrimidine (PubChem CID 134443327) has the molecular formula C11H11N5 and a molecular weight of 213.24 g/mol. Its IUPAC name is (4E,5E)-5-ethylidene-4-prop-2-enylidene-6-(1,2,4-triazol-1-yl)pyrimidine.

Molecular Properties

Compound Name(4E,5E)-5-ethylidene-4-prop-2-enylidene-6-(1,2,4-triazol-1-yl)pyrimidine
PubChem CID134443327
Molecular FormulaC11H11N5
Molecular Weight213.24 g/mol
Exact Mass213.10
IUPAC Name(4E,5E)-5-ethylidene-4-prop-2-enylidene-6-(1,2,4-triazol-1-yl)pyrimidine
SMILESC=C/C=c1/ncnc(-n2cncn2)/c1=C/C
InChIInChI=1S/C11H11N5/c1-3-5-10-9(4-2)11(14-7-13-10)16-8-12-6-15-16/h3-8H,1H2,2H3/b9-4+,10-5+
InChIKeyQAHDINJEGUIRJH-LUZURFALSA-N
XLogP-0.18
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4E,5E)-5-ethylidene-4-prop-2-enylidene-6-(1,2,4-triazol-1-yl)pyrimidine?
The IUPAC name of (4E,5E)-5-ethylidene-4-prop-2-enylidene-6-(1,2,4-triazol-1-yl)pyrimidine (CID 134443327) is (4E,5E)-5-ethylidene-4-prop-2-enylidene-6-(1,2,4-triazol-1-yl)pyrimidine.
What is the SMILES notation for (4E,5E)-5-ethylidene-4-prop-2-enylidene-6-(1,2,4-triazol-1-yl)pyrimidine?
The canonical SMILES for (4E,5E)-5-ethylidene-4-prop-2-enylidene-6-(1,2,4-triazol-1-yl)pyrimidine is C=C/C=c1/ncnc(-n2cncn2)/c1=C/C.
What is the InChIKey of (4E,5E)-5-ethylidene-4-prop-2-enylidene-6-(1,2,4-triazol-1-yl)pyrimidine?
The InChIKey is QAHDINJEGUIRJH-LUZURFALSA-N. The full InChI is InChI=1S/C11H11N5/c1-3-5-10-9(4-2)11(14-7-13-10)16-8-12-6-15-16/h3-8H,1H2,2H3/b9-4+,10-5+.
What are the key properties of (4E,5E)-5-ethylidene-4-prop-2-enylidene-6-(1,2,4-triazol-1-yl)pyrimidine?
(4E,5E)-5-ethylidene-4-prop-2-enylidene-6-(1,2,4-triazol-1-yl)pyrimidine has a molecular weight of 213.24 g/mol, XLogP of -0.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-5-ethylidene-4-prop-2-enylidene-6-(1,2,4-triazol-1-yl)pyrimidine is sourced from PubChem (CID 134443327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).