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

C14H27N5 — CID 105362578

IUPAC2-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1-N,1-N-diethylpropane-1,2-diamine
SMILESCCc1nnc(NC(C)CN(CC)CC)nc1CC
InChIInChI=1S/C14H27N5/c1-6-12-13(7-2)17-18-14(16-12)15-11(5)10-19(8-3)9-4/h11H,6-10H2,1-5H3,(H,15,16,18)
InChIKeyDBXWXMMSHSWXDK-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.14
Rot. Bonds8

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

2-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1-N,1-N-diethylpropane-1,2-diamine (PubChem CID 105362578) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1-N,1-N-diethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1-N,1-N-diethylpropane-1,2-diamine
PubChem CID105362578
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC Name2-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1-N,1-N-diethylpropane-1,2-diamine
SMILESCCc1nnc(NC(C)CN(CC)CC)nc1CC
InChIInChI=1S/C14H27N5/c1-6-12-13(7-2)17-18-14(16-12)15-11(5)10-19(8-3)9-4/h11H,6-10H2,1-5H3,(H,15,16,18)
InChIKeyDBXWXMMSHSWXDK-UHFFFAOYSA-N
XLogP2.14
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propan-1-ol
CID 105362419
3-N-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,3-diamine
CID 105363517
2-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 105362544
5,6-diethyl-N-pentan-3-yl-1,2,4-triazin-3-amine
CID 105362359
2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-4-methylpentan-1-ol
CID 105362502
N-[(2S)-2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propyl]-2-methylpropanamide
CID 146099011
5,6-diethyl-N-(1-morpholin-4-ylpropan-2-yl)-1,2,4-triazin-3-amine
CID 105362530
N-(5,6-diethyl-1,2,4-triazin-3-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 105362365
methyl 2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanoate
CID 105362420
N-tert-butyl-2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanamide
CID 105362793
2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-3-methylbutanoic acid
CID 105362073
2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-3-methylbutanamide
CID 103095305

Frequently Asked Questions

What is the IUPAC name of 2-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1-N,1-N-diethylpropane-1,2-diamine?
The IUPAC name of 2-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1-N,1-N-diethylpropane-1,2-diamine (CID 105362578) is 2-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1-N,1-N-diethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1-N,1-N-diethylpropane-1,2-diamine?
The canonical SMILES for 2-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1-N,1-N-diethylpropane-1,2-diamine is CCc1nnc(NC(C)CN(CC)CC)nc1CC.
What is the InChIKey of 2-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1-N,1-N-diethylpropane-1,2-diamine?
The InChIKey is DBXWXMMSHSWXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-6-12-13(7-2)17-18-14(16-12)15-11(5)10-19(8-3)9-4/h11H,6-10H2,1-5H3,(H,15,16,18).
What are the key properties of 2-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1-N,1-N-diethylpropane-1,2-diamine?
2-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1-N,1-N-diethylpropane-1,2-diamine has a molecular weight of 265.40 g/mol, XLogP of 2.14, 8 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)-1-N,1-N-diethylpropane-1,2-diamine is sourced from PubChem (CID 105362578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).