5-cyclopropyl-2H-triazole-4-carbonitrile

C6H6N4 — CID 82377924

IUPAC5-cyclopropyl-2H-triazole-4-carbonitrile
SMILESN#Cc1n[nH]nc1C1CC1
InChIInChI=1S/C6H6N4/c7-3-5-6(4-1-2-4)9-10-8-5/h4H,1-2H2,(H,8,9,10)
InChIKeyRGPGQMBUCLDFAI-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.55
Rot. Bonds1

About 5-cyclopropyl-2H-triazole-4-carbonitrile

5-cyclopropyl-2H-triazole-4-carbonitrile (PubChem CID 82377924) has the molecular formula C6H6N4 and a molecular weight of 134.14 g/mol. Its IUPAC name is 5-cyclopropyl-2H-triazole-4-carbonitrile.

Molecular Properties

Compound Name5-cyclopropyl-2H-triazole-4-carbonitrile
PubChem CID82377924
Molecular FormulaC6H6N4
Molecular Weight134.14 g/mol
Exact Mass134.06
IUPAC Name5-cyclopropyl-2H-triazole-4-carbonitrile
SMILESN#Cc1n[nH]nc1C1CC1
InChIInChI=1S/C6H6N4/c7-3-5-6(4-1-2-4)9-10-8-5/h4H,1-2H2,(H,8,9,10)
InChIKeyRGPGQMBUCLDFAI-UHFFFAOYSA-N
XLogP0.55
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2H-triazole-4-carbonitrile
CID 170147480
5-[1-(4-chlorophenyl)piperidin-3-yl]-2H-triazole-4-carbonitrile
CID 122479025
5-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-2H-triazole-4-carbonitrile
CID 122479017
4-bromo-5-cyclopropyl-2H-triazole
CID 71303694
5-cyclopropyl-2H-triazol-4-amine
CID 79537683
5-cyclopentyl-2H-triazol-4-amine
CID 105429790
5-cycloheptyl-2H-triazol-4-amine
CID 105439081
3-(3-cyclopropyl-5-ethyl-1H-pyrazol-4-yl)propanenitrile
CID 121212864
3-cyclopropyl-5-ethyl-1,2-thiazole-4-carbonitrile
CID 82409870
3-chloro-5-cyclopropylpyrazine-2-carbonitrile
CID 156846841
5-[5-cyclopropyl-2-(3-fluorophenyl)-1,3-oxazol-4-yl]-2H-triazole-4-carbonitrile
CID 122478638
5-cyclopropyl-1H-pyrazole-3-carbonitrile
CID 39235045

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2H-triazole-4-carbonitrile?
The IUPAC name of 5-cyclopropyl-2H-triazole-4-carbonitrile (CID 82377924) is 5-cyclopropyl-2H-triazole-4-carbonitrile.
What is the SMILES notation for 5-cyclopropyl-2H-triazole-4-carbonitrile?
The canonical SMILES for 5-cyclopropyl-2H-triazole-4-carbonitrile is N#Cc1n[nH]nc1C1CC1.
What is the InChIKey of 5-cyclopropyl-2H-triazole-4-carbonitrile?
The InChIKey is RGPGQMBUCLDFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4/c7-3-5-6(4-1-2-4)9-10-8-5/h4H,1-2H2,(H,8,9,10).
What are the key properties of 5-cyclopropyl-2H-triazole-4-carbonitrile?
5-cyclopropyl-2H-triazole-4-carbonitrile has a molecular weight of 134.14 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2H-triazole-4-carbonitrile is sourced from PubChem (CID 82377924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).