7-(2,6-dimethylphenyl)-5-methyl-N-pyridin-4-yl-1,2-dihydro-1,2,4-benzotriazin-3-amine;molecular hydrogen

C21H23N5 — CID 143121747

IUPAC7-(2,6-dimethylphenyl)-5-methyl-N-pyridin-4-yl-1,2-dihydro-1,2,4-benzotriazin-3-amine;molecular hydrogen
SMILESCc1cc(-c2c(C)cccc2C)cc2c1N=C(Nc1ccncc1)NN2.[H][H]
InChIInChI=1S/C21H21N5.H2/c1-13-5-4-6-14(2)19(13)16-11-15(3)20-18(12-16)25-26-21(24-20)23-17-7-9-22-10-8-17;/h4-12,25H,1-3H3,(H2,22,23,24,26);1H
InChIKeyHDGVVWQYCPZTSO-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.95
Rot. Bonds2

About 7-(2,6-dimethylphenyl)-5-methyl-N-pyridin-4-yl-1,2-dihydro-1,2,4-benzotriazin-3-amine;molecular hydrogen

7-(2,6-dimethylphenyl)-5-methyl-N-pyridin-4-yl-1,2-dihydro-1,2,4-benzotriazin-3-amine;molecular hydrogen (PubChem CID 143121747) has the molecular formula C21H23N5 and a molecular weight of 345.45 g/mol. Its IUPAC name is 7-(2,6-dimethylphenyl)-5-methyl-N-pyridin-4-yl-1,2-dihydro-1,2,4-benzotriazin-3-amine;molecular hydrogen.

Molecular Properties

Compound Name7-(2,6-dimethylphenyl)-5-methyl-N-pyridin-4-yl-1,2-dihydro-1,2,4-benzotriazin-3-amine;molecular hydrogen
PubChem CID143121747
Molecular FormulaC21H23N5
Molecular Weight345.45 g/mol
Exact Mass345.20
IUPAC Name7-(2,6-dimethylphenyl)-5-methyl-N-pyridin-4-yl-1,2-dihydro-1,2,4-benzotriazin-3-amine;molecular hydrogen
SMILESCc1cc(-c2c(C)cccc2C)cc2c1N=C(Nc1ccncc1)NN2.[H][H]
InChIInChI=1S/C21H21N5.H2/c1-13-5-4-6-14(2)19(13)16-11-15(3)20-18(12-16)25-26-21(24-20)23-17-7-9-22-10-8-17;/h4-12,25H,1-3H3,(H2,22,23,24,26);1H
InChIKeyHDGVVWQYCPZTSO-UHFFFAOYSA-N
XLogP4.95
TPSA61.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2,6-dimethylphenyl)-5-methyl-N-pyridin-4-yl-1,2-dihydro-1,2,4-benzotriazin-3-amine;molecular hydrogen?
The IUPAC name of 7-(2,6-dimethylphenyl)-5-methyl-N-pyridin-4-yl-1,2-dihydro-1,2,4-benzotriazin-3-amine;molecular hydrogen (CID 143121747) is 7-(2,6-dimethylphenyl)-5-methyl-N-pyridin-4-yl-1,2-dihydro-1,2,4-benzotriazin-3-amine;molecular hydrogen.
What is the SMILES notation for 7-(2,6-dimethylphenyl)-5-methyl-N-pyridin-4-yl-1,2-dihydro-1,2,4-benzotriazin-3-amine;molecular hydrogen?
The canonical SMILES for 7-(2,6-dimethylphenyl)-5-methyl-N-pyridin-4-yl-1,2-dihydro-1,2,4-benzotriazin-3-amine;molecular hydrogen is Cc1cc(-c2c(C)cccc2C)cc2c1N=C(Nc1ccncc1)NN2.[H][H].
What is the InChIKey of 7-(2,6-dimethylphenyl)-5-methyl-N-pyridin-4-yl-1,2-dihydro-1,2,4-benzotriazin-3-amine;molecular hydrogen?
The InChIKey is HDGVVWQYCPZTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5.H2/c1-13-5-4-6-14(2)19(13)16-11-15(3)20-18(12-16)25-26-21(24-20)23-17-7-9-22-10-8-17;/h4-12,25H,1-3H3,(H2,22,23,24,26);1H.
What are the key properties of 7-(2,6-dimethylphenyl)-5-methyl-N-pyridin-4-yl-1,2-dihydro-1,2,4-benzotriazin-3-amine;molecular hydrogen?
7-(2,6-dimethylphenyl)-5-methyl-N-pyridin-4-yl-1,2-dihydro-1,2,4-benzotriazin-3-amine;molecular hydrogen has a molecular weight of 345.45 g/mol, XLogP of 4.95, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,6-dimethylphenyl)-5-methyl-N-pyridin-4-yl-1,2-dihydro-1,2,4-benzotriazin-3-amine;molecular hydrogen is sourced from PubChem (CID 143121747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).