1-(3,4-dimethylcyclohexyl)tetrazol-5-amine

C9H17N5 — CID 79506233

IUPAC1-(3,4-dimethylcyclohexyl)tetrazol-5-amine
SMILESCC1CCC(n2nnnc2N)CC1C
InChIInChI=1S/C9H17N5/c1-6-3-4-8(5-7(6)2)14-9(10)11-12-13-14/h6-8H,3-5H2,1-2H3,(H2,10,11,13)
InChIKeyNMCTUMFTCNGAFN-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.25
Rot. Bonds1

About 1-(3,4-dimethylcyclohexyl)tetrazol-5-amine

1-(3,4-dimethylcyclohexyl)tetrazol-5-amine (PubChem CID 79506233) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)tetrazol-5-amine.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)tetrazol-5-amine
PubChem CID79506233
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name1-(3,4-dimethylcyclohexyl)tetrazol-5-amine
SMILESCC1CCC(n2nnnc2N)CC1C
InChIInChI=1S/C9H17N5/c1-6-3-4-8(5-7(6)2)14-9(10)11-12-13-14/h6-8H,3-5H2,1-2H3,(H2,10,11,13)
InChIKeyNMCTUMFTCNGAFN-UHFFFAOYSA-N
XLogP1.25
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)tetrazol-5-amine?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)tetrazol-5-amine (CID 79506233) is 1-(3,4-dimethylcyclohexyl)tetrazol-5-amine.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)tetrazol-5-amine?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)tetrazol-5-amine is CC1CCC(n2nnnc2N)CC1C.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)tetrazol-5-amine?
The InChIKey is NMCTUMFTCNGAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-6-3-4-8(5-7(6)2)14-9(10)11-12-13-14/h6-8H,3-5H2,1-2H3,(H2,10,11,13).
What are the key properties of 1-(3,4-dimethylcyclohexyl)tetrazol-5-amine?
1-(3,4-dimethylcyclohexyl)tetrazol-5-amine has a molecular weight of 195.27 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)tetrazol-5-amine is sourced from PubChem (CID 79506233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).