5-N-(4-propan-2-ylphenyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine

C18H27N5 — CID 112960946

IUPAC5-N-(4-propan-2-ylphenyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
SMILESCCCN(CCC)c1nncc(Nc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C18H27N5/c1-5-11-23(12-6-2)18-21-17(13-19-22-18)20-16-9-7-15(8-10-16)14(3)4/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,20,21,22)
InChIKeyKRMLFAPBJBMTOQ-UHFFFAOYSA-N
MW313.45 g/mol
LogP4.36
Rot. Bonds8

About 5-N-(4-propan-2-ylphenyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine

5-N-(4-propan-2-ylphenyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine (PubChem CID 112960946) has the molecular formula C18H27N5 and a molecular weight of 313.45 g/mol. Its IUPAC name is 5-N-(4-propan-2-ylphenyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-(4-propan-2-ylphenyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
PubChem CID112960946
Molecular FormulaC18H27N5
Molecular Weight313.45 g/mol
Exact Mass313.23
IUPAC Name5-N-(4-propan-2-ylphenyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
SMILESCCCN(CCC)c1nncc(Nc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C18H27N5/c1-5-11-23(12-6-2)18-21-17(13-19-22-18)20-16-9-7-15(8-10-16)14(3)4/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,20,21,22)
InChIKeyKRMLFAPBJBMTOQ-UHFFFAOYSA-N
XLogP4.36
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-N-(4-propan-2-ylphenyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine with MolForge

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Related Compounds

5-N-(4-phenoxyphenyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112960998
5-N-(3-bromo-4-methylphenyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112960966
5-N-propan-2-yl-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112938774
5-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112960996
3-N-ethyl-3-N-(3-methylphenyl)-5-N-(4-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964823
5-N-(5-chloro-2-methylphenyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112960958
5-N-benzyl-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112947577
4-N-(4-chlorophenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine
CID 112901298
5-N-(2-methoxyethyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112943365
2-N-butyl-2-N,6-dimethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112925722
4-[[3-(4-propan-2-ylanilino)-1,2,4-triazin-5-yl]amino]benzonitrile
CID 112964893
5-N-(3,4-dimethylphenyl)-3-N-(4-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963308

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-propan-2-ylphenyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-(4-propan-2-ylphenyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine (CID 112960946) is 5-N-(4-propan-2-ylphenyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-(4-propan-2-ylphenyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-(4-propan-2-ylphenyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine is CCCN(CCC)c1nncc(Nc2ccc(C(C)C)cc2)n1.
What is the InChIKey of 5-N-(4-propan-2-ylphenyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine?
The InChIKey is KRMLFAPBJBMTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5/c1-5-11-23(12-6-2)18-21-17(13-19-22-18)20-16-9-7-15(8-10-16)14(3)4/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,20,21,22).
What are the key properties of 5-N-(4-propan-2-ylphenyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine?
5-N-(4-propan-2-ylphenyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine has a molecular weight of 313.45 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-propan-2-ylphenyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112960946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).