4-(1-methylimidazol-2-yl)-2H-triazole

C6H7N5 — CID 91095435

IUPAC4-(1-methylimidazol-2-yl)-2H-triazole
SMILESCn1ccnc1-c1cn[nH]n1
InChIInChI=1S/C6H7N5/c1-11-3-2-7-6(11)5-4-8-10-9-5/h2-4H,1H3,(H,8,9,10)
InChIKeyGAAHQPBPAVEUNL-UHFFFAOYSA-N
MW149.16 g/mol
LogP0.21
Rot. Bonds1

About 4-(1-methylimidazol-2-yl)-2H-triazole

4-(1-methylimidazol-2-yl)-2H-triazole (PubChem CID 91095435) has the molecular formula C6H7N5 and a molecular weight of 149.16 g/mol. Its IUPAC name is 4-(1-methylimidazol-2-yl)-2H-triazole.

Molecular Properties

Compound Name4-(1-methylimidazol-2-yl)-2H-triazole
PubChem CID91095435
Molecular FormulaC6H7N5
Molecular Weight149.16 g/mol
Exact Mass149.07
IUPAC Name4-(1-methylimidazol-2-yl)-2H-triazole
SMILESCn1ccnc1-c1cn[nH]n1
InChIInChI=1S/C6H7N5/c1-11-3-2-7-6(11)5-4-8-10-9-5/h2-4H,1H3,(H,8,9,10)
InChIKeyGAAHQPBPAVEUNL-UHFFFAOYSA-N
XLogP0.21
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.16
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylimidazol-2-yl)-2H-triazole?
The IUPAC name of 4-(1-methylimidazol-2-yl)-2H-triazole (CID 91095435) is 4-(1-methylimidazol-2-yl)-2H-triazole.
What is the SMILES notation for 4-(1-methylimidazol-2-yl)-2H-triazole?
The canonical SMILES for 4-(1-methylimidazol-2-yl)-2H-triazole is Cn1ccnc1-c1cn[nH]n1.
What is the InChIKey of 4-(1-methylimidazol-2-yl)-2H-triazole?
The InChIKey is GAAHQPBPAVEUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5/c1-11-3-2-7-6(11)5-4-8-10-9-5/h2-4H,1H3,(H,8,9,10).
What are the key properties of 4-(1-methylimidazol-2-yl)-2H-triazole?
4-(1-methylimidazol-2-yl)-2H-triazole has a molecular weight of 149.16 g/mol, XLogP of 0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylimidazol-2-yl)-2H-triazole is sourced from PubChem (CID 91095435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).