4-N-methyl-4-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine

C9H14N8 — CID 80774894

IUPAC4-N-methyl-4-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCCCN(C)c1nc(N)nc(-n2cncn2)n1
InChIInChI=1S/C9H14N8/c1-3-4-16(2)8-13-7(10)14-9(15-8)17-6-11-5-12-17/h5-6H,3-4H2,1-2H3,(H2,10,13,14,15)
InChIKeyZIAUOTDCBRVBCF-UHFFFAOYSA-N
MW234.27 g/mol
LogP-0.12
Rot. Bonds4

About 4-N-methyl-4-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine

4-N-methyl-4-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 80774894) has the molecular formula C9H14N8 and a molecular weight of 234.27 g/mol. Its IUPAC name is 4-N-methyl-4-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
PubChem CID80774894
Molecular FormulaC9H14N8
Molecular Weight234.27 g/mol
Exact Mass234.13
IUPAC Name4-N-methyl-4-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCCCN(C)c1nc(N)nc(-n2cncn2)n1
InChIInChI=1S/C9H14N8/c1-3-4-16(2)8-13-7(10)14-9(15-8)17-6-11-5-12-17/h5-6H,3-4H2,1-2H3,(H2,10,13,14,15)
InChIKeyZIAUOTDCBRVBCF-UHFFFAOYSA-N
XLogP-0.12
TPSA98.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-N-methyl-4-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

N-butyl-4-chloro-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62870174
4-N-methyl-4-N-(pyridin-2-ylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80775224
4-N-butyl-2-N-ethyl-4-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80753902
2-N-[2-[ethyl(methyl)amino]ethyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80832325
4-propylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80886795
4-propoxy-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80853858
3-[[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-ethylamino]-2-methylpropanenitrile
CID 80806479
4-N-methyl-4-N-(1-methylpiperidin-4-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80751432
4-chloro-N-methyl-N-(3-methylbutyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62864601
4-N-(2-methoxyethyl)-4-N-(2-methylpropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80786405
4-N-(cyclopropylmethyl)-4-N-propan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80821216
2-N-[2-(dimethylamino)-2-methylpropyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80812261

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-methyl-4-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine (CID 80774894) is 4-N-methyl-4-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine is CCCN(C)c1nc(N)nc(-n2cncn2)n1.
What is the InChIKey of 4-N-methyl-4-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is ZIAUOTDCBRVBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N8/c1-3-4-16(2)8-13-7(10)14-9(15-8)17-6-11-5-12-17/h5-6H,3-4H2,1-2H3,(H2,10,13,14,15).
What are the key properties of 4-N-methyl-4-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
4-N-methyl-4-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 234.27 g/mol, XLogP of -0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80774894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).