N'-[2-methyl-5-[[8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]phenyl]ethanimidamide

C18H19N9 — CID 123915942

IUPACN'-[2-methyl-5-[[8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]phenyl]ethanimidamide
SMILESC/C(N)=N\c1cc(Nc2nc3c(-c4cnn(C)c4)nccn3n2)ccc1C
InChIInChI=1S/C18H19N9/c1-11-4-5-14(8-15(11)22-12(2)19)23-18-24-17-16(13-9-21-26(3)10-13)20-6-7-27(17)25-18/h4-10H,1-3H3,(H2,19,22)(H,23,25)
InChIKeyMOSFLFAWIJPPAR-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.59
Rot. Bonds4

About N'-[2-methyl-5-[[8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]phenyl]ethanimidamide

N'-[2-methyl-5-[[8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]phenyl]ethanimidamide (PubChem CID 123915942) has the molecular formula C18H19N9 and a molecular weight of 361.41 g/mol. Its IUPAC name is N'-[2-methyl-5-[[8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]phenyl]ethanimidamide.

Molecular Properties

Compound NameN'-[2-methyl-5-[[8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]phenyl]ethanimidamide
PubChem CID123915942
Molecular FormulaC18H19N9
Molecular Weight361.41 g/mol
Exact Mass361.18
IUPAC NameN'-[2-methyl-5-[[8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]phenyl]ethanimidamide
SMILESC/C(N)=N\c1cc(Nc2nc3c(-c4cnn(C)c4)nccn3n2)ccc1C
InChIInChI=1S/C18H19N9/c1-11-4-5-14(8-15(11)22-12(2)19)23-18-24-17-16(13-9-21-26(3)10-13)20-6-7-27(17)25-18/h4-10H,1-3H3,(H2,19,22)(H,23,25)
InChIKeyMOSFLFAWIJPPAR-UHFFFAOYSA-N
XLogP2.59
TPSA111.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[4-(1-aminocyclopropyl)phenyl]-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
CID 134356629
8-(1-methylpyrazol-4-yl)-N-(3-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
CID 71721683
N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
CID 71721718
8-(1-methylpyrazol-4-yl)-N-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
CID 71721715
N-(3-methylphenyl)-8-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
CID 56846717
N-(4-methoxyphenyl)-8-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
CID 66583390
N-(2-methyl-3H-indol-6-yl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
CID 147547260
2-(methylamino)-5-[[8-(2-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]phenol
CID 137315533
N-(4-ethoxyphenyl)-8-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
CID 66583455
N-(1H-indazol-6-yl)-8-(2-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
CID 71721651
8-[3-(aminomethyl)phenyl]-N-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
CID 66583836
8-chloro-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
CID 87058900

Frequently Asked Questions

What is the IUPAC name of N'-[2-methyl-5-[[8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]phenyl]ethanimidamide?
The IUPAC name of N'-[2-methyl-5-[[8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]phenyl]ethanimidamide (CID 123915942) is N'-[2-methyl-5-[[8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]phenyl]ethanimidamide.
What is the SMILES notation for N'-[2-methyl-5-[[8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]phenyl]ethanimidamide?
The canonical SMILES for N'-[2-methyl-5-[[8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]phenyl]ethanimidamide is C/C(N)=N\c1cc(Nc2nc3c(-c4cnn(C)c4)nccn3n2)ccc1C.
What is the InChIKey of N'-[2-methyl-5-[[8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]phenyl]ethanimidamide?
The InChIKey is MOSFLFAWIJPPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N9/c1-11-4-5-14(8-15(11)22-12(2)19)23-18-24-17-16(13-9-21-26(3)10-13)20-6-7-27(17)25-18/h4-10H,1-3H3,(H2,19,22)(H,23,25).
What are the key properties of N'-[2-methyl-5-[[8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]phenyl]ethanimidamide?
N'-[2-methyl-5-[[8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]phenyl]ethanimidamide has a molecular weight of 361.41 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-methyl-5-[[8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]phenyl]ethanimidamide is sourced from PubChem (CID 123915942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).