N-ethyl-N-phenyl-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine

C16H15N7 — CID 141190455

IUPACN-ethyl-N-phenyl-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
SMILESCCN(c1ccccc1)c1ncc(-c2cn[nH]c2)n2ncnc12
InChIInChI=1S/C16H15N7/c1-2-22(13-6-4-3-5-7-13)15-16-18-11-21-23(16)14(10-17-15)12-8-19-20-9-12/h3-11H,2H2,1H3,(H,19,20)
InChIKeyLWXVAMSBCSKYGU-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.67
Rot. Bonds4

About N-ethyl-N-phenyl-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine

N-ethyl-N-phenyl-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine (PubChem CID 141190455) has the molecular formula C16H15N7 and a molecular weight of 305.35 g/mol. Its IUPAC name is N-ethyl-N-phenyl-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-ethyl-N-phenyl-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
PubChem CID141190455
Molecular FormulaC16H15N7
Molecular Weight305.35 g/mol
Exact Mass305.14
IUPAC NameN-ethyl-N-phenyl-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
SMILESCCN(c1ccccc1)c1ncc(-c2cn[nH]c2)n2ncnc12
InChIInChI=1S/C16H15N7/c1-2-22(13-6-4-3-5-7-13)15-16-18-11-21-23(16)14(10-17-15)12-8-19-20-9-12/h3-11H,2H2,1H3,(H,19,20)
InChIKeyLWXVAMSBCSKYGU-UHFFFAOYSA-N
XLogP2.67
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-phenyl-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The IUPAC name of N-ethyl-N-phenyl-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine (CID 141190455) is N-ethyl-N-phenyl-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for N-ethyl-N-phenyl-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The canonical SMILES for N-ethyl-N-phenyl-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine is CCN(c1ccccc1)c1ncc(-c2cn[nH]c2)n2ncnc12.
What is the InChIKey of N-ethyl-N-phenyl-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The InChIKey is LWXVAMSBCSKYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7/c1-2-22(13-6-4-3-5-7-13)15-16-18-11-21-23(16)14(10-17-15)12-8-19-20-9-12/h3-11H,2H2,1H3,(H,19,20).
What are the key properties of N-ethyl-N-phenyl-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
N-ethyl-N-phenyl-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine has a molecular weight of 305.35 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-phenyl-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 141190455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).