pyrazin-2-yl-[1-(4-pyrrolidin-1-ylphenyl)triazol-4-yl]methanol

C17H18N6O — CID 175696394

IUPACpyrazin-2-yl-[1-(4-pyrrolidin-1-ylphenyl)triazol-4-yl]methanol
SMILESOC(c1cnccn1)c1cn(-c2ccc(N3CCCC3)cc2)nn1
InChIInChI=1S/C17H18N6O/c24-17(15-11-18-7-8-19-15)16-12-23(21-20-16)14-5-3-13(4-6-14)22-9-1-2-10-22/h3-8,11-12,17,24H,1-2,9-10H2
InChIKeyQYMYFHGPMACYDR-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.74
Rot. Bonds4

About pyrazin-2-yl-[1-(4-pyrrolidin-1-ylphenyl)triazol-4-yl]methanol

pyrazin-2-yl-[1-(4-pyrrolidin-1-ylphenyl)triazol-4-yl]methanol (PubChem CID 175696394) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is pyrazin-2-yl-[1-(4-pyrrolidin-1-ylphenyl)triazol-4-yl]methanol.

Molecular Properties

Compound Namepyrazin-2-yl-[1-(4-pyrrolidin-1-ylphenyl)triazol-4-yl]methanol
PubChem CID175696394
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Namepyrazin-2-yl-[1-(4-pyrrolidin-1-ylphenyl)triazol-4-yl]methanol
SMILESOC(c1cnccn1)c1cn(-c2ccc(N3CCCC3)cc2)nn1
InChIInChI=1S/C17H18N6O/c24-17(15-11-18-7-8-19-15)16-12-23(21-20-16)14-5-3-13(4-6-14)22-9-1-2-10-22/h3-8,11-12,17,24H,1-2,9-10H2
InChIKeyQYMYFHGPMACYDR-UHFFFAOYSA-N
XLogP1.74
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

[1-(4-pyrrolidin-1-ylphenyl)triazol-4-yl]methanamine
CID 82199614
2-(4-piperidin-1-ylphenyl)pyrazine
CID 90697442
[1-(4-piperidin-1-ylphenyl)triazol-4-yl]methanamine
CID 82199434
4-[4-(difluoromethyl)triazol-1-yl]benzoic acid
CID 83854601
4-[4-[(6-cyclopropylimidazo[1,5-a]pyrazin-5-yl)-hydroxymethyl]triazol-1-yl]phenol
CID 155573619
4-pyrrolidin-1-ylpyridine
CID 158456628
4-(4-pyrazin-2-ylpiperazin-1-yl)phenol
CID 4795412
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-(4-methoxyphenyl)triazol-4-yl]methanol
CID 142621420
(1S)-1-[1-(4-tert-butylphenyl)triazol-4-yl]ethanol
CID 129393823
(4-bromophenyl)-pyrazin-2-ylmethanol
CID 63970462
(1S)-1-[1-(4-methylsulfanylphenyl)triazol-4-yl]ethanol
CID 129393821

Frequently Asked Questions

What is the IUPAC name of pyrazin-2-yl-[1-(4-pyrrolidin-1-ylphenyl)triazol-4-yl]methanol?
The IUPAC name of pyrazin-2-yl-[1-(4-pyrrolidin-1-ylphenyl)triazol-4-yl]methanol (CID 175696394) is pyrazin-2-yl-[1-(4-pyrrolidin-1-ylphenyl)triazol-4-yl]methanol.
What is the SMILES notation for pyrazin-2-yl-[1-(4-pyrrolidin-1-ylphenyl)triazol-4-yl]methanol?
The canonical SMILES for pyrazin-2-yl-[1-(4-pyrrolidin-1-ylphenyl)triazol-4-yl]methanol is OC(c1cnccn1)c1cn(-c2ccc(N3CCCC3)cc2)nn1.
What is the InChIKey of pyrazin-2-yl-[1-(4-pyrrolidin-1-ylphenyl)triazol-4-yl]methanol?
The InChIKey is QYMYFHGPMACYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c24-17(15-11-18-7-8-19-15)16-12-23(21-20-16)14-5-3-13(4-6-14)22-9-1-2-10-22/h3-8,11-12,17,24H,1-2,9-10H2.
What are the key properties of pyrazin-2-yl-[1-(4-pyrrolidin-1-ylphenyl)triazol-4-yl]methanol?
pyrazin-2-yl-[1-(4-pyrrolidin-1-ylphenyl)triazol-4-yl]methanol has a molecular weight of 322.37 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazin-2-yl-[1-(4-pyrrolidin-1-ylphenyl)triazol-4-yl]methanol is sourced from PubChem (CID 175696394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).