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

C14H25N5 — CID 105362020

IUPAC4-N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-N-methylcyclohexane-1,4-diamine
SMILESCCc1nnc(N(C)C2CCC(N)CC2)nc1CC
InChIInChI=1S/C14H25N5/c1-4-12-13(5-2)17-18-14(16-12)19(3)11-8-6-10(15)7-9-11/h10-11H,4-9,15H2,1-3H3
InChIKeyWYLRAOMBIWZLRH-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.70
Rot. Bonds4

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

4-N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-N-methylcyclohexane-1,4-diamine (PubChem CID 105362020) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 4-N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-N-methylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-N-methylcyclohexane-1,4-diamine
PubChem CID105362020
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name4-N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-N-methylcyclohexane-1,4-diamine
SMILESCCc1nnc(N(C)C2CCC(N)CC2)nc1CC
InChIInChI=1S/C14H25N5/c1-4-12-13(5-2)17-18-14(16-12)19(3)11-8-6-10(15)7-9-11/h10-11H,4-9,15H2,1-3H3
InChIKeyWYLRAOMBIWZLRH-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 4-N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-N-methylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-N-methylcyclohexane-1,4-diamine (CID 105362020) is 4-N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-N-methylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-N-methylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-N-methylcyclohexane-1,4-diamine is CCc1nnc(N(C)C2CCC(N)CC2)nc1CC.
What is the InChIKey of 4-N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-N-methylcyclohexane-1,4-diamine?
The InChIKey is WYLRAOMBIWZLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-4-12-13(5-2)17-18-14(16-12)19(3)11-8-6-10(15)7-9-11/h10-11H,4-9,15H2,1-3H3.
What are the key properties of 4-N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-N-methylcyclohexane-1,4-diamine?
4-N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-N-methylcyclohexane-1,4-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 4-N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-N-methylcyclohexane-1,4-diamine is sourced from PubChem (CID 105362020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).