N-[2-(aminomethyl)cyclohexyl]-N,5,6-trimethyl-1,2,4-triazin-3-amine

C13H23N5 — CID 114787149

IUPACN-[2-(aminomethyl)cyclohexyl]-N,5,6-trimethyl-1,2,4-triazin-3-amine
SMILESCc1nnc(N(C)C2CCCCC2CN)nc1C
InChIInChI=1S/C13H23N5/c1-9-10(2)16-17-13(15-9)18(3)12-7-5-4-6-11(12)8-14/h11-12H,4-8,14H2,1-3H3
InChIKeyHZJDNMGRNBOWAR-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.44
Rot. Bonds3

About N-[2-(aminomethyl)cyclohexyl]-N,5,6-trimethyl-1,2,4-triazin-3-amine

N-[2-(aminomethyl)cyclohexyl]-N,5,6-trimethyl-1,2,4-triazin-3-amine (PubChem CID 114787149) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-N,5,6-trimethyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-N,5,6-trimethyl-1,2,4-triazin-3-amine
PubChem CID114787149
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-N,5,6-trimethyl-1,2,4-triazin-3-amine
SMILESCc1nnc(N(C)C2CCCCC2CN)nc1C
InChIInChI=1S/C13H23N5/c1-9-10(2)16-17-13(15-9)18(3)12-7-5-4-6-11(12)8-14/h11-12H,4-8,14H2,1-3H3
InChIKeyHZJDNMGRNBOWAR-UHFFFAOYSA-N
XLogP1.44
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-N,5,6-trimethyl-1,2,4-triazin-3-amine?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-N,5,6-trimethyl-1,2,4-triazin-3-amine (CID 114787149) is N-[2-(aminomethyl)cyclohexyl]-N,5,6-trimethyl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-N,5,6-trimethyl-1,2,4-triazin-3-amine?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-N,5,6-trimethyl-1,2,4-triazin-3-amine is Cc1nnc(N(C)C2CCCCC2CN)nc1C.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-N,5,6-trimethyl-1,2,4-triazin-3-amine?
The InChIKey is HZJDNMGRNBOWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-9-10(2)16-17-13(15-9)18(3)12-7-5-4-6-11(12)8-14/h11-12H,4-8,14H2,1-3H3.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-N,5,6-trimethyl-1,2,4-triazin-3-amine?
N-[2-(aminomethyl)cyclohexyl]-N,5,6-trimethyl-1,2,4-triazin-3-amine has a molecular weight of 249.36 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-N,5,6-trimethyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 114787149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).