5-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methylamino]pyrazine-2-carbonitrile

C17H18N4O2 — CID 133491288

IUPAC5-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methylamino]pyrazine-2-carbonitrile
SMILESCc1ccc(CNc2cnc(C#N)cn2)c(OC2CCOC2)c1
InChIInChI=1S/C17H18N4O2/c1-12-2-3-13(16(6-12)23-15-4-5-22-11-15)8-20-17-10-19-14(7-18)9-21-17/h2-3,6,9-10,15H,4-5,8,11H2,1H3,(H,20,21)
InChIKeyWINHZYCLRULNBO-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.44
Rot. Bonds5

About 5-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methylamino]pyrazine-2-carbonitrile

5-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methylamino]pyrazine-2-carbonitrile (PubChem CID 133491288) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 5-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methylamino]pyrazine-2-carbonitrile
PubChem CID133491288
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name5-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methylamino]pyrazine-2-carbonitrile
SMILESCc1ccc(CNc2cnc(C#N)cn2)c(OC2CCOC2)c1
InChIInChI=1S/C17H18N4O2/c1-12-2-3-13(16(6-12)23-15-4-5-22-11-15)8-20-17-10-19-14(7-18)9-21-17/h2-3,6,9-10,15H,4-5,8,11H2,1H3,(H,20,21)
InChIKeyWINHZYCLRULNBO-UHFFFAOYSA-N
XLogP2.44
TPSA80.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methylamino]pyrazine-2-carbonitrile
CID 133490946
5-[[2-(cyclopropylmethoxy)-4-methylphenyl]methylamino]pyrazine-2-carbonitrile
CID 133490921
5-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methylamino]pyrazine-2-carbonitrile
CID 133491293
1-methyl-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine
CID 120971631
6-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methylamino]pyridine-3-carbonitrile
CID 97070107
N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-1H-benzimidazol-2-amine
CID 133410920
4-cyano-N-[[4-methyl-2-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-1H-pyrrole-2-carboxamide
CID 97224334
1-[4-methyl-2-(oxolan-3-yloxy)phenyl]-N-(quinolin-8-ylmethyl)methanamine
CID 71920257
N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]prop-2-enamide
CID 166406216
2-(methylamino)-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]acetamide;hydrochloride
CID 119812658
N-(1H-indazol-7-ylmethyl)-1-[4-methyl-2-(oxolan-3-yloxy)phenyl]methanamine
CID 71970938
5-[2-(oxolan-3-yl)ethylamino]pyrazine-2-carbonitrile
CID 104918213

Frequently Asked Questions

What is the IUPAC name of 5-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methylamino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methylamino]pyrazine-2-carbonitrile (CID 133491288) is 5-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methylamino]pyrazine-2-carbonitrile is Cc1ccc(CNc2cnc(C#N)cn2)c(OC2CCOC2)c1.
What is the InChIKey of 5-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methylamino]pyrazine-2-carbonitrile?
The InChIKey is WINHZYCLRULNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-12-2-3-13(16(6-12)23-15-4-5-22-11-15)8-20-17-10-19-14(7-18)9-21-17/h2-3,6,9-10,15H,4-5,8,11H2,1H3,(H,20,21).
What are the key properties of 5-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methylamino]pyrazine-2-carbonitrile?
5-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methylamino]pyrazine-2-carbonitrile has a molecular weight of 310.36 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 133491288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).