1-[(2-cyclohexyl-1,2,4-triazol-3-yl)methyl]-5-methyltetrazole

C11H17N7 — CID 72886682

IUPAC1-[(2-cyclohexyl-1,2,4-triazol-3-yl)methyl]-5-methyltetrazole
SMILESCc1nnnn1Cc1ncnn1C1CCCCC1
InChIInChI=1S/C11H17N7/c1-9-14-15-16-17(9)7-11-12-8-13-18(11)10-5-3-2-4-6-10/h8,10H,2-7H2,1H3
InChIKeyNLKXHTGNBLFDRK-UHFFFAOYSA-N
MW247.31 g/mol
LogP1.13
Rot. Bonds3

About 1-[(2-cyclohexyl-1,2,4-triazol-3-yl)methyl]-5-methyltetrazole

1-[(2-cyclohexyl-1,2,4-triazol-3-yl)methyl]-5-methyltetrazole (PubChem CID 72886682) has the molecular formula C11H17N7 and a molecular weight of 247.31 g/mol. Its IUPAC name is 1-[(2-cyclohexyl-1,2,4-triazol-3-yl)methyl]-5-methyltetrazole.

Molecular Properties

Compound Name1-[(2-cyclohexyl-1,2,4-triazol-3-yl)methyl]-5-methyltetrazole
PubChem CID72886682
Molecular FormulaC11H17N7
Molecular Weight247.31 g/mol
Exact Mass247.15
IUPAC Name1-[(2-cyclohexyl-1,2,4-triazol-3-yl)methyl]-5-methyltetrazole
SMILESCc1nnnn1Cc1ncnn1C1CCCCC1
InChIInChI=1S/C11H17N7/c1-9-14-15-16-17(9)7-11-12-8-13-18(11)10-5-3-2-4-6-10/h8,10H,2-7H2,1H3
InChIKeyNLKXHTGNBLFDRK-UHFFFAOYSA-N
XLogP1.13
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyclohexyl-1,2,4-triazol-3-yl)methyl]-5-methyltetrazole?
The IUPAC name of 1-[(2-cyclohexyl-1,2,4-triazol-3-yl)methyl]-5-methyltetrazole (CID 72886682) is 1-[(2-cyclohexyl-1,2,4-triazol-3-yl)methyl]-5-methyltetrazole.
What is the SMILES notation for 1-[(2-cyclohexyl-1,2,4-triazol-3-yl)methyl]-5-methyltetrazole?
The canonical SMILES for 1-[(2-cyclohexyl-1,2,4-triazol-3-yl)methyl]-5-methyltetrazole is Cc1nnnn1Cc1ncnn1C1CCCCC1.
What is the InChIKey of 1-[(2-cyclohexyl-1,2,4-triazol-3-yl)methyl]-5-methyltetrazole?
The InChIKey is NLKXHTGNBLFDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7/c1-9-14-15-16-17(9)7-11-12-8-13-18(11)10-5-3-2-4-6-10/h8,10H,2-7H2,1H3.
What are the key properties of 1-[(2-cyclohexyl-1,2,4-triazol-3-yl)methyl]-5-methyltetrazole?
1-[(2-cyclohexyl-1,2,4-triazol-3-yl)methyl]-5-methyltetrazole has a molecular weight of 247.31 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyclohexyl-1,2,4-triazol-3-yl)methyl]-5-methyltetrazole is sourced from PubChem (CID 72886682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).