3-[[cyclopropylmethyl-[(5-methylpyrazin-2-yl)methyl]amino]methyl]phenol

C17H21N3O — CID 75371307

IUPAC3-[[cyclopropylmethyl-[(5-methylpyrazin-2-yl)methyl]amino]methyl]phenol
SMILESCc1cnc(CN(Cc2cccc(O)c2)CC2CC2)cn1
InChIInChI=1S/C17H21N3O/c1-13-8-19-16(9-18-13)12-20(10-14-5-6-14)11-15-3-2-4-17(21)7-15/h2-4,7-9,14,21H,5-6,10-12H2,1H3
InChIKeyOKOJATCASBQOHW-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.90
Rot. Bonds6

About 3-[[cyclopropylmethyl-[(5-methylpyrazin-2-yl)methyl]amino]methyl]phenol

3-[[cyclopropylmethyl-[(5-methylpyrazin-2-yl)methyl]amino]methyl]phenol (PubChem CID 75371307) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-[[cyclopropylmethyl-[(5-methylpyrazin-2-yl)methyl]amino]methyl]phenol.

Molecular Properties

Compound Name3-[[cyclopropylmethyl-[(5-methylpyrazin-2-yl)methyl]amino]methyl]phenol
PubChem CID75371307
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name3-[[cyclopropylmethyl-[(5-methylpyrazin-2-yl)methyl]amino]methyl]phenol
SMILESCc1cnc(CN(Cc2cccc(O)c2)CC2CC2)cn1
InChIInChI=1S/C17H21N3O/c1-13-8-19-16(9-18-13)12-20(10-14-5-6-14)11-15-3-2-4-17(21)7-15/h2-4,7-9,14,21H,5-6,10-12H2,1H3
InChIKeyOKOJATCASBQOHW-UHFFFAOYSA-N
XLogP2.90
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropylmethyl-[(5-methylpyrazin-2-yl)methyl]amino]methyl]phenol?
The IUPAC name of 3-[[cyclopropylmethyl-[(5-methylpyrazin-2-yl)methyl]amino]methyl]phenol (CID 75371307) is 3-[[cyclopropylmethyl-[(5-methylpyrazin-2-yl)methyl]amino]methyl]phenol.
What is the SMILES notation for 3-[[cyclopropylmethyl-[(5-methylpyrazin-2-yl)methyl]amino]methyl]phenol?
The canonical SMILES for 3-[[cyclopropylmethyl-[(5-methylpyrazin-2-yl)methyl]amino]methyl]phenol is Cc1cnc(CN(Cc2cccc(O)c2)CC2CC2)cn1.
What is the InChIKey of 3-[[cyclopropylmethyl-[(5-methylpyrazin-2-yl)methyl]amino]methyl]phenol?
The InChIKey is OKOJATCASBQOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-13-8-19-16(9-18-13)12-20(10-14-5-6-14)11-15-3-2-4-17(21)7-15/h2-4,7-9,14,21H,5-6,10-12H2,1H3.
What are the key properties of 3-[[cyclopropylmethyl-[(5-methylpyrazin-2-yl)methyl]amino]methyl]phenol?
3-[[cyclopropylmethyl-[(5-methylpyrazin-2-yl)methyl]amino]methyl]phenol has a molecular weight of 283.38 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropylmethyl-[(5-methylpyrazin-2-yl)methyl]amino]methyl]phenol is sourced from PubChem (CID 75371307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).