3-(1H-imidazol-2-yl)-1,2,4-triazine

C6H5N5 — CID 91338063

IUPAC3-(1H-imidazol-2-yl)-1,2,4-triazine
SMILESc1cnc(-c2ncc[nH]2)nn1
InChIInChI=1S/C6H5N5/c1-2-8-5(7-1)6-9-3-4-10-11-6/h1-4H,(H,7,8)
InChIKeyHASBCSYHZMUXAG-UHFFFAOYSA-N
MW147.14 g/mol
LogP0.26
Rot. Bonds1

About 3-(1H-imidazol-2-yl)-1,2,4-triazine

3-(1H-imidazol-2-yl)-1,2,4-triazine (PubChem CID 91338063) has the molecular formula C6H5N5 and a molecular weight of 147.14 g/mol. Its IUPAC name is 3-(1H-imidazol-2-yl)-1,2,4-triazine.

Molecular Properties

Compound Name3-(1H-imidazol-2-yl)-1,2,4-triazine
PubChem CID91338063
Molecular FormulaC6H5N5
Molecular Weight147.14 g/mol
Exact Mass147.05
IUPAC Name3-(1H-imidazol-2-yl)-1,2,4-triazine
SMILESc1cnc(-c2ncc[nH]2)nn1
InChIInChI=1S/C6H5N5/c1-2-8-5(7-1)6-9-3-4-10-11-6/h1-4H,(H,7,8)
InChIKeyHASBCSYHZMUXAG-UHFFFAOYSA-N
XLogP0.26
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.14
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-2-yl)-1,2,4-triazine?
The IUPAC name of 3-(1H-imidazol-2-yl)-1,2,4-triazine (CID 91338063) is 3-(1H-imidazol-2-yl)-1,2,4-triazine.
What is the SMILES notation for 3-(1H-imidazol-2-yl)-1,2,4-triazine?
The canonical SMILES for 3-(1H-imidazol-2-yl)-1,2,4-triazine is c1cnc(-c2ncc[nH]2)nn1.
What is the InChIKey of 3-(1H-imidazol-2-yl)-1,2,4-triazine?
The InChIKey is HASBCSYHZMUXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N5/c1-2-8-5(7-1)6-9-3-4-10-11-6/h1-4H,(H,7,8).
What are the key properties of 3-(1H-imidazol-2-yl)-1,2,4-triazine?
3-(1H-imidazol-2-yl)-1,2,4-triazine has a molecular weight of 147.14 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-2-yl)-1,2,4-triazine is sourced from PubChem (CID 91338063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).