[3-(3,4-dihydro-2H-chromen-6-yl)pyrazin-2-yl]methanamine

C14H15N3O — CID 82477483

IUPAC[3-(3,4-dihydro-2H-chromen-6-yl)pyrazin-2-yl]methanamine
SMILESNCc1nccnc1-c1ccc2c(c1)CCCO2
InChIInChI=1S/C14H15N3O/c15-9-12-14(17-6-5-16-12)11-3-4-13-10(8-11)2-1-7-18-13/h3-6,8H,1-2,7,9,15H2
InChIKeyVKGJIFZDQGYOBF-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.93
Rot. Bonds2

About [3-(3,4-dihydro-2H-chromen-6-yl)pyrazin-2-yl]methanamine

[3-(3,4-dihydro-2H-chromen-6-yl)pyrazin-2-yl]methanamine (PubChem CID 82477483) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is [3-(3,4-dihydro-2H-chromen-6-yl)pyrazin-2-yl]methanamine.

Molecular Properties

Compound Name[3-(3,4-dihydro-2H-chromen-6-yl)pyrazin-2-yl]methanamine
PubChem CID82477483
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name[3-(3,4-dihydro-2H-chromen-6-yl)pyrazin-2-yl]methanamine
SMILESNCc1nccnc1-c1ccc2c(c1)CCCO2
InChIInChI=1S/C14H15N3O/c15-9-12-14(17-6-5-16-12)11-3-4-13-10(8-11)2-1-7-18-13/h3-6,8H,1-2,7,9,15H2
InChIKeyVKGJIFZDQGYOBF-UHFFFAOYSA-N
XLogP1.93
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]phenyl]-3,4-dihydro-2H-chromene
CID 71339532
[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]methanamine
CID 82649644
[3-(3,4-dihydro-2H-chromen-6-yl)-1H-pyrazol-5-yl]methanamine
CID 82474070
[4-(3,4-dihydro-2H-chromen-6-yl)thiophen-3-yl]methanamine
CID 82479154
4-(3,4-dihydro-2H-chromen-6-yl)-6-methylpyrimidin-5-amine
CID 82477480
2-(aminomethyl)-4-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazole-5-carbonitrile
CID 96668019
5-(3,4-dihydro-2H-chromen-6-yl)pyridin-2-amine
CID 62492220
4-(3,4-dihydro-2H-chromen-6-yl)-5-methyl-1,3-oxazol-2-amine
CID 116831842
5-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-amine
CID 61025357
3-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]propan-1-amine
CID 116876928
4-(3,4-dihydro-2H-chromen-6-yl)-5-propan-2-yl-1,3-oxazol-2-amine
CID 116832007
4-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazole-5-carboxylic acid
CID 82478349

Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dihydro-2H-chromen-6-yl)pyrazin-2-yl]methanamine?
The IUPAC name of [3-(3,4-dihydro-2H-chromen-6-yl)pyrazin-2-yl]methanamine (CID 82477483) is [3-(3,4-dihydro-2H-chromen-6-yl)pyrazin-2-yl]methanamine.
What is the SMILES notation for [3-(3,4-dihydro-2H-chromen-6-yl)pyrazin-2-yl]methanamine?
The canonical SMILES for [3-(3,4-dihydro-2H-chromen-6-yl)pyrazin-2-yl]methanamine is NCc1nccnc1-c1ccc2c(c1)CCCO2.
What is the InChIKey of [3-(3,4-dihydro-2H-chromen-6-yl)pyrazin-2-yl]methanamine?
The InChIKey is VKGJIFZDQGYOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c15-9-12-14(17-6-5-16-12)11-3-4-13-10(8-11)2-1-7-18-13/h3-6,8H,1-2,7,9,15H2.
What are the key properties of [3-(3,4-dihydro-2H-chromen-6-yl)pyrazin-2-yl]methanamine?
[3-(3,4-dihydro-2H-chromen-6-yl)pyrazin-2-yl]methanamine has a molecular weight of 241.29 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-dihydro-2H-chromen-6-yl)pyrazin-2-yl]methanamine is sourced from PubChem (CID 82477483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).