3-(1-ethylimino-3-iminopropan-2-yl)-N-(1-ethylpyrazol-4-yl)triazolo[4,5-d]pyrimidin-5-amine

C14H18N10 — CID 123527628

IUPAC3-(1-ethylimino-3-iminopropan-2-yl)-N-(1-ethylpyrazol-4-yl)triazolo[4,5-d]pyrimidin-5-amine
SMILES[H]/N=C/C(/C=N/CC)n1nnc2cnc(Nc3cnn(CC)c3)nc21
InChIInChI=1S/C14H18N10/c1-3-16-7-11(5-15)24-13-12(21-22-24)8-17-14(20-13)19-10-6-18-23(4-2)9-10/h5-9,11,15H,3-4H2,1-2H3,(H,17,19,20)/b15-5+,16-7+
InChIKeyMQXOYQUVWIIMCI-IAQKOEEMSA-N
MW326.37 g/mol
LogP1.46
Rot. Bonds7

About 3-(1-ethylimino-3-iminopropan-2-yl)-N-(1-ethylpyrazol-4-yl)triazolo[4,5-d]pyrimidin-5-amine

3-(1-ethylimino-3-iminopropan-2-yl)-N-(1-ethylpyrazol-4-yl)triazolo[4,5-d]pyrimidin-5-amine (PubChem CID 123527628) has the molecular formula C14H18N10 and a molecular weight of 326.37 g/mol. Its IUPAC name is 3-(1-ethylimino-3-iminopropan-2-yl)-N-(1-ethylpyrazol-4-yl)triazolo[4,5-d]pyrimidin-5-amine.

Molecular Properties

Compound Name3-(1-ethylimino-3-iminopropan-2-yl)-N-(1-ethylpyrazol-4-yl)triazolo[4,5-d]pyrimidin-5-amine
PubChem CID123527628
Molecular FormulaC14H18N10
Molecular Weight326.37 g/mol
Exact Mass326.17
IUPAC Name3-(1-ethylimino-3-iminopropan-2-yl)-N-(1-ethylpyrazol-4-yl)triazolo[4,5-d]pyrimidin-5-amine
SMILES[H]/N=C/C(/C=N/CC)n1nnc2cnc(Nc3cnn(CC)c3)nc21
InChIInChI=1S/C14H18N10/c1-3-16-7-11(5-15)24-13-12(21-22-24)8-17-14(20-13)19-10-6-18-23(4-2)9-10/h5-9,11,15H,3-4H2,1-2H3,(H,17,19,20)/b15-5+,16-7+
InChIKeyMQXOYQUVWIIMCI-IAQKOEEMSA-N
XLogP1.46
TPSA122.55 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

2-N,9-bis(1-ethylpyrazol-4-yl)purine-2,8-diamine;ethane
CID 144695467
1-[(3-bromo-5-fluorophenyl)methyl]-N-(1-ethylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 173472529
3-[2-[(1-ethylpyrazol-4-yl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]propanamide
CID 68756720
3-(4-ethoxyphenyl)-N-[1-(3-methoxypropyl)pyrazol-4-yl]triazolo[4,5-d]pyrimidin-5-amine
CID 71668072
5-[4-[[3-(4-ethoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]pyrazol-1-yl]pentan-1-ol
CID 123417343
3-(4-methoxyhepta-2,4-dienyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]triazolo[4,5-d]pyrimidin-5-amine
CID 123937234
N-(1-ethylpyrazol-4-yl)-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyrimidin-2-amine
CID 90435320
1-ethyl-N-(1-ethylpyrazol-4-yl)imidazol-2-amine
CID 62137131
N-(1-ethylpyrazol-4-yl)-3-fluoropyridin-2-amine
CID 62732475
3-(4-methoxyphenyl)-N-(1-methylpyrazol-4-yl)triazolo[4,5-d]pyrimidin-5-amine
CID 71667332
2-[(1-ethylpyrazol-4-yl)amino]-4-(2-methoxyethylamino)pyrimidine-5-carboxamide
CID 165112238
2-[(1-ethylpyrazol-4-yl)amino]-4-[(2,3,6-trifluorophenyl)methylamino]pyrimidine-5-carboxamide
CID 165112300

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylimino-3-iminopropan-2-yl)-N-(1-ethylpyrazol-4-yl)triazolo[4,5-d]pyrimidin-5-amine?
The IUPAC name of 3-(1-ethylimino-3-iminopropan-2-yl)-N-(1-ethylpyrazol-4-yl)triazolo[4,5-d]pyrimidin-5-amine (CID 123527628) is 3-(1-ethylimino-3-iminopropan-2-yl)-N-(1-ethylpyrazol-4-yl)triazolo[4,5-d]pyrimidin-5-amine.
What is the SMILES notation for 3-(1-ethylimino-3-iminopropan-2-yl)-N-(1-ethylpyrazol-4-yl)triazolo[4,5-d]pyrimidin-5-amine?
The canonical SMILES for 3-(1-ethylimino-3-iminopropan-2-yl)-N-(1-ethylpyrazol-4-yl)triazolo[4,5-d]pyrimidin-5-amine is [H]/N=C/C(/C=N/CC)n1nnc2cnc(Nc3cnn(CC)c3)nc21.
What is the InChIKey of 3-(1-ethylimino-3-iminopropan-2-yl)-N-(1-ethylpyrazol-4-yl)triazolo[4,5-d]pyrimidin-5-amine?
The InChIKey is MQXOYQUVWIIMCI-IAQKOEEMSA-N. The full InChI is InChI=1S/C14H18N10/c1-3-16-7-11(5-15)24-13-12(21-22-24)8-17-14(20-13)19-10-6-18-23(4-2)9-10/h5-9,11,15H,3-4H2,1-2H3,(H,17,19,20)/b15-5+,16-7+.
What are the key properties of 3-(1-ethylimino-3-iminopropan-2-yl)-N-(1-ethylpyrazol-4-yl)triazolo[4,5-d]pyrimidin-5-amine?
3-(1-ethylimino-3-iminopropan-2-yl)-N-(1-ethylpyrazol-4-yl)triazolo[4,5-d]pyrimidin-5-amine has a molecular weight of 326.37 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylimino-3-iminopropan-2-yl)-N-(1-ethylpyrazol-4-yl)triazolo[4,5-d]pyrimidin-5-amine is sourced from PubChem (CID 123527628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).