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

C15H29N5 — CID 105362544

IUPAC2-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine
SMILESCCc1nnc(NC(CC(C)C)CN(C)C)nc1CC
InChIInChI=1S/C15H29N5/c1-7-13-14(8-2)18-19-15(17-13)16-12(9-11(3)4)10-20(5)6/h11-12H,7-10H2,1-6H3,(H,16,17,19)
InChIKeyDLMSZXRSVJTQAU-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.38
Rot. Bonds8

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

2-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine (PubChem CID 105362544) has the molecular formula C15H29N5 and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine
PubChem CID105362544
Molecular FormulaC15H29N5
Molecular Weight279.43 g/mol
Exact Mass279.24
IUPAC Name2-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine
SMILESCCc1nnc(NC(CC(C)C)CN(C)C)nc1CC
InChIInChI=1S/C15H29N5/c1-7-13-14(8-2)18-19-15(17-13)16-12(9-11(3)4)10-20(5)6/h11-12H,7-10H2,1-6H3,(H,16,17,19)
InChIKeyDLMSZXRSVJTQAU-UHFFFAOYSA-N
XLogP2.38
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.38
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)-1-N,1-N,4-trimethylpentane-1,2-diamine?
The IUPAC name of 2-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine (CID 105362544) is 2-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine.
What is the SMILES notation for 2-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine?
The canonical SMILES for 2-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine is CCc1nnc(NC(CC(C)C)CN(C)C)nc1CC.
What is the InChIKey of 2-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine?
The InChIKey is DLMSZXRSVJTQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5/c1-7-13-14(8-2)18-19-15(17-13)16-12(9-11(3)4)10-20(5)6/h11-12H,7-10H2,1-6H3,(H,16,17,19).
What are the key properties of 2-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine?
2-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine has a molecular weight of 279.43 g/mol, XLogP of 2.38, 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,4-trimethylpentane-1,2-diamine is sourced from PubChem (CID 105362544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).