6-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine

C10H11N5O — CID 15764367

IUPAC6-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
SMILESCOc1ccccc1-c1nnc(N)nc1N
InChIInChI=1S/C10H11N5O/c1-16-7-5-3-2-4-6(7)8-9(11)13-10(12)15-14-8/h2-5H,1H3,(H4,11,12,13,15)
InChIKeyPTROIWXVPNAVAM-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.71
Rot. Bonds2

About 6-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine

6-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 15764367) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
PubChem CID15764367
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name6-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
SMILESCOc1ccccc1-c1nnc(N)nc1N
InChIInChI=1S/C10H11N5O/c1-16-7-5-3-2-4-6(7)8-9(11)13-10(12)15-14-8/h2-5H,1H3,(H4,11,12,13,15)
InChIKeyPTROIWXVPNAVAM-UHFFFAOYSA-N
XLogP0.71
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3-chlorophenyl)-5-(2-methoxyphenyl)-1,2,4-triazin-3-amine
CID 174665315
6-naphthalen-1-yl-1,2,4-triazine-3,5-diamine
CID 23311134
6-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 23311136
5,6-bis(2-methoxyphenyl)-N-propan-2-yl-1,2,4-triazin-3-amine
CID 46953104
4-cyclopropyl-6-(2-methoxyphenyl)-1,3,5-triazin-2-amine
CID 63868741
6-(9H-fluoren-1-yl)-1,2,4-triazine-3,5-diamine
CID 118588652
6-(2-chloro-3-pyridinyl)-1,2,4-triazine-3,5-diamine
CID 58103123
2-amino-4-(2-methoxyphenyl)-6-methylsulfanylpyrimidine-5-carbonitrile
CID 18507388
2-amino-5-bromo-4-(2-methoxyphenyl)-1H-pyrimidin-6-one
CID 135480627
5-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine
CID 107811619
2-amino-4-(2-methoxyphenyl)-1H-imidazole-5-carboxylic acid
CID 82475427
1,2-dimethoxybenzene;dihydrochloride
CID 19834650

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 6-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine (CID 15764367) is 6-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 6-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 6-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine is COc1ccccc1-c1nnc(N)nc1N.
What is the InChIKey of 6-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is PTROIWXVPNAVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c1-16-7-5-3-2-4-6(7)8-9(11)13-10(12)15-14-8/h2-5H,1H3,(H4,11,12,13,15).
What are the key properties of 6-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine?
6-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 217.23 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 15764367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).