[8-(3-methylanilino)-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-propan-2-ylcarbamic acid

C16H18N6O2 — CID 67250361

IUPAC[8-(3-methylanilino)-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-propan-2-ylcarbamic acid
SMILESCc1cccc(Nc2nccn3c(N(C(=O)O)C(C)C)nnc23)c1
InChIInChI=1S/C16H18N6O2/c1-10(2)22(16(23)24)15-20-19-14-13(17-7-8-21(14)15)18-12-6-4-5-11(3)9-12/h4-10H,1-3H3,(H,17,18)(H,23,24)
InChIKeyFGRARCADUOZWLX-UHFFFAOYSA-N
MW326.36 g/mol
LogP3.07
Rot. Bonds4

About [8-(3-methylanilino)-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-propan-2-ylcarbamic acid

[8-(3-methylanilino)-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-propan-2-ylcarbamic acid (PubChem CID 67250361) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is [8-(3-methylanilino)-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-propan-2-ylcarbamic acid.

Molecular Properties

Compound Name[8-(3-methylanilino)-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-propan-2-ylcarbamic acid
PubChem CID67250361
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name[8-(3-methylanilino)-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-propan-2-ylcarbamic acid
SMILESCc1cccc(Nc2nccn3c(N(C(=O)O)C(C)C)nnc23)c1
InChIInChI=1S/C16H18N6O2/c1-10(2)22(16(23)24)15-20-19-14-13(17-7-8-21(14)15)18-12-6-4-5-11(3)9-12/h4-10H,1-3H3,(H,17,18)(H,23,24)
InChIKeyFGRARCADUOZWLX-UHFFFAOYSA-N
XLogP3.07
TPSA95.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 58328545
[8-[2-(3-methoxyphenyl)ethylamino]-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-propan-2-ylcarbamic acid
CID 67250729
2,4-bis[4-(3-methylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pentan-3-one
CID 140999197
3-(3-methylanilino)pyrazine-2-carbothioamide
CID 55103328
2-methyl-4-(3-methylanilino)pyrimidine-5-carboxamide
CID 67477026
di(propan-2-yl)carbamic acid;1,3-xylene
CID 175568368
3-N-methyl-8-N-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine
CID 58328691
1-(3-methylphenyl)-3-[3-oxo-4-(4-propan-2-ylphenyl)pyrazin-2-yl]urea
CID 53118315
4-methyl-5-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]pentanoic acid
CID 82684004
8-(3-methylanilino)-2,4,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene-5-carboxylic acid
CID 171726252
6-N-methyl-8-N-(3-methylphenyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80754749
N-(2,6-dimethylphenyl)-2-(3-methylanilino)pyridine-3-carboxamide
CID 23633002

Frequently Asked Questions

What is the IUPAC name of [8-(3-methylanilino)-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-propan-2-ylcarbamic acid?
The IUPAC name of [8-(3-methylanilino)-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-propan-2-ylcarbamic acid (CID 67250361) is [8-(3-methylanilino)-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-propan-2-ylcarbamic acid.
What is the SMILES notation for [8-(3-methylanilino)-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-propan-2-ylcarbamic acid?
The canonical SMILES for [8-(3-methylanilino)-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-propan-2-ylcarbamic acid is Cc1cccc(Nc2nccn3c(N(C(=O)O)C(C)C)nnc23)c1.
What is the InChIKey of [8-(3-methylanilino)-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-propan-2-ylcarbamic acid?
The InChIKey is FGRARCADUOZWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-10(2)22(16(23)24)15-20-19-14-13(17-7-8-21(14)15)18-12-6-4-5-11(3)9-12/h4-10H,1-3H3,(H,17,18)(H,23,24).
What are the key properties of [8-(3-methylanilino)-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-propan-2-ylcarbamic acid?
[8-(3-methylanilino)-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-propan-2-ylcarbamic acid has a molecular weight of 326.36 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(3-methylanilino)-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-propan-2-ylcarbamic acid is sourced from PubChem (CID 67250361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).