5-N-benzyl-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine

C16H23N5 — CID 112947577

IUPAC5-N-benzyl-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
SMILESCCCN(CCC)c1nncc(NCc2ccccc2)n1
InChIInChI=1S/C16H23N5/c1-3-10-21(11-4-2)16-19-15(13-18-20-16)17-12-14-8-6-5-7-9-14/h5-9,13H,3-4,10-12H2,1-2H3,(H,17,19,20)
InChIKeyYOFTXFUKTRYYSQ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.11
Rot. Bonds8

About 5-N-benzyl-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine

5-N-benzyl-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine (PubChem CID 112947577) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 5-N-benzyl-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-benzyl-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
PubChem CID112947577
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name5-N-benzyl-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
SMILESCCCN(CCC)c1nncc(NCc2ccccc2)n1
InChIInChI=1S/C16H23N5/c1-3-10-21(11-4-2)16-19-15(13-18-20-16)17-12-14-8-6-5-7-9-14/h5-9,13H,3-4,10-12H2,1-2H3,(H,17,19,20)
InChIKeyYOFTXFUKTRYYSQ-UHFFFAOYSA-N
XLogP3.11
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-[(3,4-dimethoxyphenyl)methyl]-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112956312
3-N-benzyl-3-N-ethyl-5-N-[(4-fluorophenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112949867
5-N-(1,3-benzodioxol-5-ylmethyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112951342
5-N-[2-(4-fluorophenyl)ethyl]-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112953666
5-N-(2-methoxyethyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112943365
5-N-(4-phenoxyphenyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112960998
3-N-benzyl-5-N-[(4-methoxyphenyl)methyl]-3-N-methyl-1,2,4-triazine-3,5-diamine
CID 112949376
5-N-propan-2-yl-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112938774
5-N-[(4-fluorophenyl)methyl]-3-N-methyl-3-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112949922
6-N-benzyl-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112871547
3-N-benzyl-5-N-(pyridin-4-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112947704
5-N-benzyl-3-N-prop-2-enyl-1,2,4-triazine-3,5-diamine
CID 112939697

Frequently Asked Questions

What is the IUPAC name of 5-N-benzyl-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-benzyl-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine (CID 112947577) is 5-N-benzyl-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-benzyl-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-benzyl-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine is CCCN(CCC)c1nncc(NCc2ccccc2)n1.
What is the InChIKey of 5-N-benzyl-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine?
The InChIKey is YOFTXFUKTRYYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-3-10-21(11-4-2)16-19-15(13-18-20-16)17-12-14-8-6-5-7-9-14/h5-9,13H,3-4,10-12H2,1-2H3,(H,17,19,20).
What are the key properties of 5-N-benzyl-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine?
5-N-benzyl-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine has a molecular weight of 285.39 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-benzyl-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112947577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).