1-(cyclohexylmethyl)-5-methyltriazole

C10H17N3 — CID 139378897

IUPAC1-(cyclohexylmethyl)-5-methyltriazole
SMILESCc1cnnn1CC1CCCCC1
InChIInChI=1S/C10H17N3/c1-9-7-11-12-13(9)8-10-5-3-2-4-6-10/h7,10H,2-6,8H2,1H3
InChIKeyUVKBVNNUWJHPDR-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.17
Rot. Bonds2

About 1-(cyclohexylmethyl)-5-methyltriazole

1-(cyclohexylmethyl)-5-methyltriazole (PubChem CID 139378897) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-5-methyltriazole.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-5-methyltriazole
PubChem CID139378897
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-(cyclohexylmethyl)-5-methyltriazole
SMILESCc1cnnn1CC1CCCCC1
InChIInChI=1S/C10H17N3/c1-9-7-11-12-13(9)8-10-5-3-2-4-6-10/h7,10H,2-6,8H2,1H3
InChIKeyUVKBVNNUWJHPDR-UHFFFAOYSA-N
XLogP2.17
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-5-methyltriazole?
The IUPAC name of 1-(cyclohexylmethyl)-5-methyltriazole (CID 139378897) is 1-(cyclohexylmethyl)-5-methyltriazole.
What is the SMILES notation for 1-(cyclohexylmethyl)-5-methyltriazole?
The canonical SMILES for 1-(cyclohexylmethyl)-5-methyltriazole is Cc1cnnn1CC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethyl)-5-methyltriazole?
The InChIKey is UVKBVNNUWJHPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-9-7-11-12-13(9)8-10-5-3-2-4-6-10/h7,10H,2-6,8H2,1H3.
What are the key properties of 1-(cyclohexylmethyl)-5-methyltriazole?
1-(cyclohexylmethyl)-5-methyltriazole has a molecular weight of 179.27 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-5-methyltriazole is sourced from PubChem (CID 139378897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).