N-(5,6-dimethyl-1,2,4-triazin-3-yl)-N',N'-dimethylethane-1,2-diamine

C9H17N5 — CID 23349917

IUPACN-(5,6-dimethyl-1,2,4-triazin-3-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCc1nnc(NCCN(C)C)nc1C
InChIInChI=1S/C9H17N5/c1-7-8(2)12-13-9(11-7)10-5-6-14(3)4/h5-6H2,1-4H3,(H,10,11,13)
InChIKeyLEFRVIWWQWFOMY-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.46
Rot. Bonds4

About N-(5,6-dimethyl-1,2,4-triazin-3-yl)-N',N'-dimethylethane-1,2-diamine

N-(5,6-dimethyl-1,2,4-triazin-3-yl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 23349917) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is N-(5,6-dimethyl-1,2,4-triazin-3-yl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(5,6-dimethyl-1,2,4-triazin-3-yl)-N',N'-dimethylethane-1,2-diamine
PubChem CID23349917
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC NameN-(5,6-dimethyl-1,2,4-triazin-3-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCc1nnc(NCCN(C)C)nc1C
InChIInChI=1S/C9H17N5/c1-7-8(2)12-13-9(11-7)10-5-6-14(3)4/h5-6H2,1-4H3,(H,10,11,13)
InChIKeyLEFRVIWWQWFOMY-UHFFFAOYSA-N
XLogP0.46
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-N',N'-dimethylethane-1,2-diamine (CID 23349917) is N-(5,6-dimethyl-1,2,4-triazin-3-yl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(5,6-dimethyl-1,2,4-triazin-3-yl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(5,6-dimethyl-1,2,4-triazin-3-yl)-N',N'-dimethylethane-1,2-diamine is Cc1nnc(NCCN(C)C)nc1C.
What is the InChIKey of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is LEFRVIWWQWFOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-7-8(2)12-13-9(11-7)10-5-6-14(3)4/h5-6H2,1-4H3,(H,10,11,13).
What are the key properties of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-N',N'-dimethylethane-1,2-diamine?
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 195.27 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethyl-1,2,4-triazin-3-yl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 23349917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).