N'-[3-(1,6-dimethylidene-3,4-dihydro-2H-pyrido[1,2-a]pyrazin-7-yl)prop-1-en-2-yl]-N-methylidenemethanimidamide;ethane

C17H24N4 — CID 155571299

IUPACN'-[3-(1,6-dimethylidene-3,4-dihydro-2H-pyrido[1,2-a]pyrazin-7-yl)prop-1-en-2-yl]-N-methylidenemethanimidamide;ethane
SMILESC=N/C=N/C(=C)CC1=CC=C2C(=C)NCCN2C1=C.CC
InChIInChI=1S/C15H18N4.C2H6/c1-11(18-10-16-4)9-14-5-6-15-12(2)17-7-8-19(15)13(14)3;1-2/h5-6,10,17H,1-4,7-9H2;1-2H3/b18-10+;
InChIKeyWTVDRQYIEQUAKF-DYMYMWKRSA-N
MW284.41 g/mol
LogP3.40
Rot. Bonds4

About N'-[3-(1,6-dimethylidene-3,4-dihydro-2H-pyrido[1,2-a]pyrazin-7-yl)prop-1-en-2-yl]-N-methylidenemethanimidamide;ethane

N'-[3-(1,6-dimethylidene-3,4-dihydro-2H-pyrido[1,2-a]pyrazin-7-yl)prop-1-en-2-yl]-N-methylidenemethanimidamide;ethane (PubChem CID 155571299) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is N'-[3-(1,6-dimethylidene-3,4-dihydro-2H-pyrido[1,2-a]pyrazin-7-yl)prop-1-en-2-yl]-N-methylidenemethanimidamide;ethane.

Molecular Properties

Compound NameN'-[3-(1,6-dimethylidene-3,4-dihydro-2H-pyrido[1,2-a]pyrazin-7-yl)prop-1-en-2-yl]-N-methylidenemethanimidamide;ethane
PubChem CID155571299
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC NameN'-[3-(1,6-dimethylidene-3,4-dihydro-2H-pyrido[1,2-a]pyrazin-7-yl)prop-1-en-2-yl]-N-methylidenemethanimidamide;ethane
SMILESC=N/C=N/C(=C)CC1=CC=C2C(=C)NCCN2C1=C.CC
InChIInChI=1S/C15H18N4.C2H6/c1-11(18-10-16-4)9-14-5-6-15-12(2)17-7-8-19(15)13(14)3;1-2/h5-6,10,17H,1-4,7-9H2;1-2H3/b18-10+;
InChIKeyWTVDRQYIEQUAKF-DYMYMWKRSA-N
XLogP3.40
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[(Z,1Z)-1-fluoro-1-[4-fluoro-3-(piperazin-1-ylmethyl)cyclohexa-2,4-dien-1-ylidene]-4-methylpent-2-en-3-yl]methanimine
CID 167205654
1-[3,4-Dimethylidene-6-(2-methylprop-1-enyl)-2-pyridinyl]piperazine
CID 126720096
(NZ)-N-(aminomethylidene)-N'-[(6-methylidene-2,3-dihydro-1H-pyridin-4-yl)methyl]piperazine-1-carboximidamide;ethane
CID 141771425
(3E)-N-[(E)-but-1-enyl]-4-[(1Z,3Z)-1-(methylideneamino)penta-1,3-dienyl]-3-(1-piperazin-1-ylethylidene)pyrrol-2-amine
CID 168185033
4-piperazin-1-yl-N-[[(4Z)-4-propylidenecyclohexa-1,5-dien-1-yl]methyl]-1,2-dihydropyridin-5-amine;N-[(Z)-prop-1-enyl]methanimine
CID 168937351
6-methylidene-5-[(Z)-3-methylpent-1-enyl]-4-piperazin-1-yl-1H-pyrimidine
CID 172616648
2-[[5-(4-Tert-butylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]methyl]guanidine
CID 174197587
(NZ)-N-(aminomethylidene)-N'-[(6-methylidene-2,3-dihydro-1H-pyridin-4-yl)methyl]piperazine-1-carboximidamide
CID 141771426
N'-[3-(1,6-dimethylidene-3,4-dihydro-2H-pyrido[1,2-a]pyrazin-7-yl)prop-1-en-2-yl]-N-methylidenemethanimidamide
CID 155571300

Frequently Asked Questions

What is the IUPAC name of N'-[3-(1,6-dimethylidene-3,4-dihydro-2H-pyrido[1,2-a]pyrazin-7-yl)prop-1-en-2-yl]-N-methylidenemethanimidamide;ethane?
The IUPAC name of N'-[3-(1,6-dimethylidene-3,4-dihydro-2H-pyrido[1,2-a]pyrazin-7-yl)prop-1-en-2-yl]-N-methylidenemethanimidamide;ethane (CID 155571299) is N'-[3-(1,6-dimethylidene-3,4-dihydro-2H-pyrido[1,2-a]pyrazin-7-yl)prop-1-en-2-yl]-N-methylidenemethanimidamide;ethane.
What is the SMILES notation for N'-[3-(1,6-dimethylidene-3,4-dihydro-2H-pyrido[1,2-a]pyrazin-7-yl)prop-1-en-2-yl]-N-methylidenemethanimidamide;ethane?
The canonical SMILES for N'-[3-(1,6-dimethylidene-3,4-dihydro-2H-pyrido[1,2-a]pyrazin-7-yl)prop-1-en-2-yl]-N-methylidenemethanimidamide;ethane is C=N/C=N/C(=C)CC1=CC=C2C(=C)NCCN2C1=C.CC.
What is the InChIKey of N'-[3-(1,6-dimethylidene-3,4-dihydro-2H-pyrido[1,2-a]pyrazin-7-yl)prop-1-en-2-yl]-N-methylidenemethanimidamide;ethane?
The InChIKey is WTVDRQYIEQUAKF-DYMYMWKRSA-N. The full InChI is InChI=1S/C15H18N4.C2H6/c1-11(18-10-16-4)9-14-5-6-15-12(2)17-7-8-19(15)13(14)3;1-2/h5-6,10,17H,1-4,7-9H2;1-2H3/b18-10+;.
What are the key properties of N'-[3-(1,6-dimethylidene-3,4-dihydro-2H-pyrido[1,2-a]pyrazin-7-yl)prop-1-en-2-yl]-N-methylidenemethanimidamide;ethane?
N'-[3-(1,6-dimethylidene-3,4-dihydro-2H-pyrido[1,2-a]pyrazin-7-yl)prop-1-en-2-yl]-N-methylidenemethanimidamide;ethane has a molecular weight of 284.41 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(1,6-dimethylidene-3,4-dihydro-2H-pyrido[1,2-a]pyrazin-7-yl)prop-1-en-2-yl]-N-methylidenemethanimidamide;ethane is sourced from PubChem (CID 155571299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).