1-[2-[2-(cyclohexylmethyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]tetrazole

C16H27N7 — CID 72862211

IUPAC1-[2-[2-(cyclohexylmethyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]tetrazole
SMILESCC(C)Cc1nc(CCn2cnnn2)n(CC2CCCCC2)n1
InChIInChI=1S/C16H27N7/c1-13(2)10-15-18-16(8-9-22-12-17-20-21-22)23(19-15)11-14-6-4-3-5-7-14/h12-14H,3-11H2,1-2H3
InChIKeyWHSAPILIEGDHKA-UHFFFAOYSA-N
MW317.44 g/mol
LogP2.29
Rot. Bonds7

About 1-[2-[2-(cyclohexylmethyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]tetrazole

1-[2-[2-(cyclohexylmethyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]tetrazole (PubChem CID 72862211) has the molecular formula C16H27N7 and a molecular weight of 317.44 g/mol. Its IUPAC name is 1-[2-[2-(cyclohexylmethyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]tetrazole.

Molecular Properties

Compound Name1-[2-[2-(cyclohexylmethyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]tetrazole
PubChem CID72862211
Molecular FormulaC16H27N7
Molecular Weight317.44 g/mol
Exact Mass317.23
IUPAC Name1-[2-[2-(cyclohexylmethyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]tetrazole
SMILESCC(C)Cc1nc(CCn2cnnn2)n(CC2CCCCC2)n1
InChIInChI=1S/C16H27N7/c1-13(2)10-15-18-16(8-9-22-12-17-20-21-22)23(19-15)11-14-6-4-3-5-7-14/h12-14H,3-11H2,1-2H3
InChIKeyWHSAPILIEGDHKA-UHFFFAOYSA-N
XLogP2.29
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(cyclohexylmethyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]tetrazole?
The IUPAC name of 1-[2-[2-(cyclohexylmethyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]tetrazole (CID 72862211) is 1-[2-[2-(cyclohexylmethyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]tetrazole.
What is the SMILES notation for 1-[2-[2-(cyclohexylmethyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]tetrazole?
The canonical SMILES for 1-[2-[2-(cyclohexylmethyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]tetrazole is CC(C)Cc1nc(CCn2cnnn2)n(CC2CCCCC2)n1.
What is the InChIKey of 1-[2-[2-(cyclohexylmethyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]tetrazole?
The InChIKey is WHSAPILIEGDHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N7/c1-13(2)10-15-18-16(8-9-22-12-17-20-21-22)23(19-15)11-14-6-4-3-5-7-14/h12-14H,3-11H2,1-2H3.
What are the key properties of 1-[2-[2-(cyclohexylmethyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]tetrazole?
1-[2-[2-(cyclohexylmethyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]tetrazole has a molecular weight of 317.44 g/mol, XLogP of 2.29, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(cyclohexylmethyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]tetrazole is sourced from PubChem (CID 72862211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).