2-N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-N-methylcyclohexane-1,2-diamine

C14H25N5 — CID 102639647

IUPAC2-N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-N-methylcyclohexane-1,2-diamine
SMILESCCc1nnc(N(C)C2CCCCC2N)nc1CC
InChIInChI=1S/C14H25N5/c1-4-11-12(5-2)17-18-14(16-11)19(3)13-9-7-6-8-10(13)15/h10,13H,4-9,15H2,1-3H3
InChIKeyPVJINCNFSDNGTG-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.70
Rot. Bonds4

About 2-N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-N-methylcyclohexane-1,2-diamine

2-N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-N-methylcyclohexane-1,2-diamine (PubChem CID 102639647) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 2-N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-N-methylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-N-methylcyclohexane-1,2-diamine
PubChem CID102639647
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name2-N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-N-methylcyclohexane-1,2-diamine
SMILESCCc1nnc(N(C)C2CCCCC2N)nc1CC
InChIInChI=1S/C14H25N5/c1-4-11-12(5-2)17-18-14(16-11)19(3)13-9-7-6-8-10(13)15/h10,13H,4-9,15H2,1-3H3
InChIKeyPVJINCNFSDNGTG-UHFFFAOYSA-N
XLogP1.70
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-N-methylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-N-methylcyclohexane-1,2-diamine (CID 102639647) is 2-N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-N-methylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-N-methylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-N-methylcyclohexane-1,2-diamine is CCc1nnc(N(C)C2CCCCC2N)nc1CC.
What is the InChIKey of 2-N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-N-methylcyclohexane-1,2-diamine?
The InChIKey is PVJINCNFSDNGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-4-11-12(5-2)17-18-14(16-11)19(3)13-9-7-6-8-10(13)15/h10,13H,4-9,15H2,1-3H3.
What are the key properties of 2-N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-N-methylcyclohexane-1,2-diamine?
2-N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-N-methylcyclohexane-1,2-diamine has a molecular weight of 263.39 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-N-methylcyclohexane-1,2-diamine is sourced from PubChem (CID 102639647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).