N,N-bis(triazol-1-ylmethyl)cyclohexanamine

C12H19N7 — CID 70401615

IUPACN,N-bis(triazol-1-ylmethyl)cyclohexanamine
SMILESc1cn(CN(Cn2ccnn2)C2CCCCC2)nn1
InChIInChI=1S/C12H19N7/c1-2-4-12(5-3-1)17(10-18-8-6-13-15-18)11-19-9-7-14-16-19/h6-9,12H,1-5,10-11H2
InChIKeyLNMYKNMYKSUBGZ-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.12
Rot. Bonds5

About N,N-bis(triazol-1-ylmethyl)cyclohexanamine

N,N-bis(triazol-1-ylmethyl)cyclohexanamine (PubChem CID 70401615) has the molecular formula C12H19N7 and a molecular weight of 261.33 g/mol. Its IUPAC name is N,N-bis(triazol-1-ylmethyl)cyclohexanamine.

Molecular Properties

Compound NameN,N-bis(triazol-1-ylmethyl)cyclohexanamine
PubChem CID70401615
Molecular FormulaC12H19N7
Molecular Weight261.33 g/mol
Exact Mass261.17
IUPAC NameN,N-bis(triazol-1-ylmethyl)cyclohexanamine
SMILESc1cn(CN(Cn2ccnn2)C2CCCCC2)nn1
InChIInChI=1S/C12H19N7/c1-2-4-12(5-3-1)17(10-18-8-6-13-15-18)11-19-9-7-14-16-19/h6-9,12H,1-5,10-11H2
InChIKeyLNMYKNMYKSUBGZ-UHFFFAOYSA-N
XLogP1.12
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(triazol-1-ylmethyl)cyclohexanamine?
The IUPAC name of N,N-bis(triazol-1-ylmethyl)cyclohexanamine (CID 70401615) is N,N-bis(triazol-1-ylmethyl)cyclohexanamine.
What is the SMILES notation for N,N-bis(triazol-1-ylmethyl)cyclohexanamine?
The canonical SMILES for N,N-bis(triazol-1-ylmethyl)cyclohexanamine is c1cn(CN(Cn2ccnn2)C2CCCCC2)nn1.
What is the InChIKey of N,N-bis(triazol-1-ylmethyl)cyclohexanamine?
The InChIKey is LNMYKNMYKSUBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7/c1-2-4-12(5-3-1)17(10-18-8-6-13-15-18)11-19-9-7-14-16-19/h6-9,12H,1-5,10-11H2.
What are the key properties of N,N-bis(triazol-1-ylmethyl)cyclohexanamine?
N,N-bis(triazol-1-ylmethyl)cyclohexanamine has a molecular weight of 261.33 g/mol, XLogP of 1.12, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(triazol-1-ylmethyl)cyclohexanamine is sourced from PubChem (CID 70401615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).