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

C11H21N5 — CID 105363517

IUPAC3-N-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,3-diamine
SMILESCCc1nnc(NC(C)CCN)nc1CC
InChIInChI=1S/C11H21N5/c1-4-9-10(5-2)15-16-11(14-9)13-8(3)6-7-12/h8H,4-7,12H2,1-3H3,(H,13,14,16)
InChIKeyLCMVANXXAFBLEZ-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.15
Rot. Bonds6

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

3-N-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,3-diamine (PubChem CID 105363517) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-N-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,3-diamine.

Molecular Properties

Compound Name3-N-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,3-diamine
PubChem CID105363517
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name3-N-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,3-diamine
SMILESCCc1nnc(NC(C)CCN)nc1CC
InChIInChI=1S/C11H21N5/c1-4-9-10(5-2)15-16-11(14-9)13-8(3)6-7-12/h8H,4-7,12H2,1-3H3,(H,13,14,16)
InChIKeyLCMVANXXAFBLEZ-UHFFFAOYSA-N
XLogP1.15
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.15
H-Bond Donors ≤ 52
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-dimethyl-1,2,4-triazin-3-yl)butane-1,3-diamine
CID 114788042
2-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1-N,1-N-diethylpropane-1,2-diamine
CID 105362578
5,6-diethyl-N-pentan-3-yl-1,2,4-triazin-3-amine
CID 105362359
methyl 2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanoate
CID 105362420
2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-3-methylbutanamide
CID 103095305
N-[(2S)-2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propyl]-2-methylpropanamide
CID 146099011
1-N-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,3-diamine
CID 105362989
5,6-diethyl-N-(1-morpholin-4-ylpropan-2-yl)-1,2,4-triazin-3-amine
CID 105362530
N-tert-butyl-2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanamide
CID 105362793
N'-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,4-diamine
CID 105362304
2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-4-methylpentan-1-ol
CID 105362502

Frequently Asked Questions

What is the IUPAC name of 3-N-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,3-diamine?
The IUPAC name of 3-N-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,3-diamine (CID 105363517) is 3-N-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,3-diamine.
What is the SMILES notation for 3-N-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,3-diamine?
The canonical SMILES for 3-N-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,3-diamine is CCc1nnc(NC(C)CCN)nc1CC.
What is the InChIKey of 3-N-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,3-diamine?
The InChIKey is LCMVANXXAFBLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-4-9-10(5-2)15-16-11(14-9)13-8(3)6-7-12/h8H,4-7,12H2,1-3H3,(H,13,14,16).
What are the key properties of 3-N-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,3-diamine?
3-N-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,3-diamine has a molecular weight of 223.32 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,3-diamine is sourced from PubChem (CID 105363517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).