4-(3-methylimidazol-4-yl)-2H-triazole

C6H7N5 — CID 70322643

IUPAC4-(3-methylimidazol-4-yl)-2H-triazole
SMILESCn1cncc1-c1cn[nH]n1
InChIInChI=1S/C6H7N5/c1-11-4-7-3-6(11)5-2-8-10-9-5/h2-4H,1H3,(H,8,9,10)
InChIKeyUEIHWXIEDLSMSQ-UHFFFAOYSA-N
MW149.16 g/mol
LogP0.21
Rot. Bonds1

About 4-(3-methylimidazol-4-yl)-2H-triazole

4-(3-methylimidazol-4-yl)-2H-triazole (PubChem CID 70322643) has the molecular formula C6H7N5 and a molecular weight of 149.16 g/mol. Its IUPAC name is 4-(3-methylimidazol-4-yl)-2H-triazole.

Molecular Properties

Compound Name4-(3-methylimidazol-4-yl)-2H-triazole
PubChem CID70322643
Molecular FormulaC6H7N5
Molecular Weight149.16 g/mol
Exact Mass149.07
IUPAC Name4-(3-methylimidazol-4-yl)-2H-triazole
SMILESCn1cncc1-c1cn[nH]n1
InChIInChI=1S/C6H7N5/c1-11-4-7-3-6(11)5-2-8-10-9-5/h2-4H,1H3,(H,8,9,10)
InChIKeyUEIHWXIEDLSMSQ-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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Related Compounds

5-(2H-triazol-4-yl)pyrimidine
CID 67380455
4,4'-Bisimidazole, 2,2'-difluoro-1,1'-dimethyl-
CID 607734
1-(difluoromethyl)-5-(1H-imidazol-5-yl)triazole
CID 165376979
4-[3-(difluoromethyl)triazol-4-yl]-N,N-dimethylimidazole-1-sulfonamide
CID 165376985
3,3'-dimethyl-3H,3'H-4,4'-biimidazole
CID 138115344
5-bromo-3,3'-dimethyl-3H,3'H-4,4'-biimidazole
CID 138115354
4-(3-Methylimidazol-4-yl)-1-(5,5,6,6,7,7,8,8,8-nonafluorooctyl)triazole
CID 101785254
1-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Heptadecafluorododecyl)-4-(3-methylimidazol-4-yl)triazole
CID 101785255
1-Tert-butyl-4-(3-methylimidazol-4-yl)triazole
CID 57624572
2-Methyl-4-(1-methylpyrazol-4-yl)imidazol-1-amine
CID 68181963
4-(3-Methylimidazol-4-yl)-1,2-di(propan-2-yl)imidazole
CID 71182145
5-(3-methylimidazol-4-yl)-2H-tetrazole
CID 82896184

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylimidazol-4-yl)-2H-triazole?
The IUPAC name of 4-(3-methylimidazol-4-yl)-2H-triazole (CID 70322643) is 4-(3-methylimidazol-4-yl)-2H-triazole.
What is the SMILES notation for 4-(3-methylimidazol-4-yl)-2H-triazole?
The canonical SMILES for 4-(3-methylimidazol-4-yl)-2H-triazole is Cn1cncc1-c1cn[nH]n1.
What is the InChIKey of 4-(3-methylimidazol-4-yl)-2H-triazole?
The InChIKey is UEIHWXIEDLSMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5/c1-11-4-7-3-6(11)5-2-8-10-9-5/h2-4H,1H3,(H,8,9,10).
What are the key properties of 4-(3-methylimidazol-4-yl)-2H-triazole?
4-(3-methylimidazol-4-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-(3-methylimidazol-4-yl)-2H-triazole is sourced from PubChem (CID 70322643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).