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

C11H18N8 — CID 80765612

IUPAC2-N,4-N-dipropyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(NCCC)nc(-n2cncn2)n1
InChIInChI=1S/C11H18N8/c1-3-5-13-9-16-10(14-6-4-2)18-11(17-9)19-8-12-7-15-19/h7-8H,3-6H2,1-2H3,(H2,13,14,16,17,18)
InChIKeyMOTALEJCFSHTTE-UHFFFAOYSA-N
MW262.32 g/mol
LogP1.10
Rot. Bonds7

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

2-N,4-N-dipropyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 80765612) has the molecular formula C11H18N8 and a molecular weight of 262.32 g/mol. Its IUPAC name is 2-N,4-N-dipropyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dipropyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
PubChem CID80765612
Molecular FormulaC11H18N8
Molecular Weight262.32 g/mol
Exact Mass262.17
IUPAC Name2-N,4-N-dipropyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(NCCC)nc(-n2cncn2)n1
InChIInChI=1S/C11H18N8/c1-3-5-13-9-16-10(14-6-4-2)18-11(17-9)19-8-12-7-15-19/h7-8H,3-6H2,1-2H3,(H2,13,14,16,17,18)
InChIKeyMOTALEJCFSHTTE-UHFFFAOYSA-N
XLogP1.10
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

N-propyl-4,6-bis(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80853504
2-N-(3-methylbutyl)-4-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80771756
2-N-(2-methylsulfanylethyl)-4-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80839383
2-N-(2-methoxyethyl)-4-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80765193
2-N-pentan-3-yl-4-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80750141
3-[[4-(propylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propanamide
CID 80775795
N-propyl-4-pyrrolidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80766913
4-N-methyl-2-N-pentyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80785739
4-N-methyl-4-N-propan-2-yl-2-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80764201
4-butan-2-ylsulfanyl-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80887639
4-cyclopentylsulfanyl-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80887621
4-(2-methylbutylsulfanyl)-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 107765721

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dipropyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-dipropyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine (CID 80765612) is 2-N,4-N-dipropyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dipropyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-dipropyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine is CCCNc1nc(NCCC)nc(-n2cncn2)n1.
What is the InChIKey of 2-N,4-N-dipropyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is MOTALEJCFSHTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N8/c1-3-5-13-9-16-10(14-6-4-2)18-11(17-9)19-8-12-7-15-19/h7-8H,3-6H2,1-2H3,(H2,13,14,16,17,18).
What are the key properties of 2-N,4-N-dipropyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
2-N,4-N-dipropyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 262.32 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dipropyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80765612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).