1-cyclopropyl-4,5-dimethyltriazole

C7H11N3 — CID 139406030

IUPAC1-cyclopropyl-4,5-dimethyltriazole
SMILESCc1nnn(C2CC2)c1C
InChIInChI=1S/C7H11N3/c1-5-6(2)10(9-8-5)7-3-4-7/h7H,3-4H2,1-2H3
InChIKeyJFMXEGULADEQNI-UHFFFAOYSA-N
MW137.19 g/mol
LogP1.23
Rot. Bonds1

About 1-cyclopropyl-4,5-dimethyltriazole

1-cyclopropyl-4,5-dimethyltriazole (PubChem CID 139406030) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 1-cyclopropyl-4,5-dimethyltriazole.

Molecular Properties

Compound Name1-cyclopropyl-4,5-dimethyltriazole
PubChem CID139406030
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name1-cyclopropyl-4,5-dimethyltriazole
SMILESCc1nnn(C2CC2)c1C
InChIInChI=1S/C7H11N3/c1-5-6(2)10(9-8-5)7-3-4-7/h7H,3-4H2,1-2H3
InChIKeyJFMXEGULADEQNI-UHFFFAOYSA-N
XLogP1.23
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4,5-dimethyltriazol-1-yl)cyclopentan-1-ol;propane-2,2-diol
CID 145030777
4-bromo-5-methyl-1-(oxan-4-yl)triazole
CID 171647649
1-(3,4-dimethylcyclohexyl)-5-methyltriazole-4-carboxylic acid
CID 64739872
1-cyclopropyl-4,5-dimethylpyrazole;ethane
CID 167523032
5-tert-butyl-1-cyclopropyltetrazole
CID 59442744
1-cyclopropyl-5-propyltriazole-4-carboxamide
CID 150566699
7-bromo-3-cyclopropyl-5-methyltriazolo[4,5-b]pyridine
CID 83843857
2-(1-cyclopropyl-3,5-dimethylpyrazol-4-yl)ethanol
CID 105438944
1-cyclopropyl-5-(2-methylphenyl)triazol-4-amine
CID 105467883
5-cyclopropyl-1-(4-methylcyclohexyl)triazol-4-amine
CID 79547220
1-[(1-cyclopropyltetrazol-5-yl)methyl]-5-methyltriazole-4-carboxylic acid
CID 62054553
1-methoxy-4,5-dimethyltriazole
CID 18737148

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4,5-dimethyltriazole?
The IUPAC name of 1-cyclopropyl-4,5-dimethyltriazole (CID 139406030) is 1-cyclopropyl-4,5-dimethyltriazole.
What is the SMILES notation for 1-cyclopropyl-4,5-dimethyltriazole?
The canonical SMILES for 1-cyclopropyl-4,5-dimethyltriazole is Cc1nnn(C2CC2)c1C.
What is the InChIKey of 1-cyclopropyl-4,5-dimethyltriazole?
The InChIKey is JFMXEGULADEQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-5-6(2)10(9-8-5)7-3-4-7/h7H,3-4H2,1-2H3.
What are the key properties of 1-cyclopropyl-4,5-dimethyltriazole?
1-cyclopropyl-4,5-dimethyltriazole has a molecular weight of 137.19 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4,5-dimethyltriazole is sourced from PubChem (CID 139406030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).