4-methyl-1-(2-methylcyclopropyl)triazole

C7H11N3 — CID 170086672

IUPAC4-methyl-1-(2-methylcyclopropyl)triazole
SMILESCc1cn(C2CC2C)nn1
InChIInChI=1S/C7H11N3/c1-5-3-7(5)10-4-6(2)8-9-10/h4-5,7H,3H2,1-2H3
InChIKeyDRMXCPZCCHFIOJ-UHFFFAOYSA-N
MW137.19 g/mol
LogP1.17
Rot. Bonds1

About 4-methyl-1-(2-methylcyclopropyl)triazole

4-methyl-1-(2-methylcyclopropyl)triazole (PubChem CID 170086672) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 4-methyl-1-(2-methylcyclopropyl)triazole.

Molecular Properties

Compound Name4-methyl-1-(2-methylcyclopropyl)triazole
PubChem CID170086672
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name4-methyl-1-(2-methylcyclopropyl)triazole
SMILESCc1cn(C2CC2C)nn1
InChIInChI=1S/C7H11N3/c1-5-3-7(5)10-4-6(2)8-9-10/h4-5,7H,3H2,1-2H3
InChIKeyDRMXCPZCCHFIOJ-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Methyl-1H-1,2,3-triazol-1-yl)ethanamine
CID 45791271
4-(chloromethyl)-1-ethyl-1H-1,2,3-triazole
CID 55211891
4-(chloromethyl)-1-cyclopropyl-1H-1,2,3-triazole
CID 126973353
4-Ethyl-1-(2-fluoroethyl)triazole
CID 58251782
4-Methyl-1-prop-2-enyltriazole
CID 13553893
1,4-Dimethyl-1H-1,2,3-triazole
CID 15257142
(1-Isopropyl-1H-1,2,3-triazol-4-yl)methanamine
CID 62055376
1-[1-(cyclopropylmethyl)-1H-1,2,3-triazol-4-yl]methanamine dihydrochloride
CID 121209119
1,4-Diethyltriazole
CID 19779068
1,4-Di(propan-2-yl)triazole
CID 21054920
4-Ethyl-1-methyltriazole
CID 59050128
1-(2-Fluoroethyl)-4-methyltriazole
CID 58251824

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methylcyclopropyl)triazole?
The IUPAC name of 4-methyl-1-(2-methylcyclopropyl)triazole (CID 170086672) is 4-methyl-1-(2-methylcyclopropyl)triazole.
What is the SMILES notation for 4-methyl-1-(2-methylcyclopropyl)triazole?
The canonical SMILES for 4-methyl-1-(2-methylcyclopropyl)triazole is Cc1cn(C2CC2C)nn1.
What is the InChIKey of 4-methyl-1-(2-methylcyclopropyl)triazole?
The InChIKey is DRMXCPZCCHFIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-5-3-7(5)10-4-6(2)8-9-10/h4-5,7H,3H2,1-2H3.
What are the key properties of 4-methyl-1-(2-methylcyclopropyl)triazole?
4-methyl-1-(2-methylcyclopropyl)triazole has a molecular weight of 137.19 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methylcyclopropyl)triazole is sourced from PubChem (CID 170086672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).