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

C15H18N4 — CID 155571300

IUPACN'-[3-(1,6-dimethylidene-3,4-dihydro-2H-pyrido[1,2-a]pyrazin-7-yl)prop-1-en-2-yl]-N-methylidenemethanimidamide
SMILESC=N/C=N/C(=C)CC1=CC=C2C(=C)NCCN2C1=C
InChIInChI=1S/C15H18N4/c1-11(18-10-16-4)9-14-5-6-15-12(2)17-7-8-19(15)13(14)3/h5-6,10,17H,1-4,7-9H2/b18-10+
InChIKeyMPLRLXBIALNVFK-VCHYOVAHSA-N
MW254.34 g/mol
LogP2.38
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

N'-[3-(1,6-dimethylidene-3,4-dihydro-2H-pyrido[1,2-a]pyrazin-7-yl)prop-1-en-2-yl]-N-methylidenemethanimidamide (PubChem CID 155571300) has the molecular formula C15H18N4 and a molecular weight of 254.34 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.

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
PubChem CID155571300
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC NameN'-[3-(1,6-dimethylidene-3,4-dihydro-2H-pyrido[1,2-a]pyrazin-7-yl)prop-1-en-2-yl]-N-methylidenemethanimidamide
SMILESC=N/C=N/C(=C)CC1=CC=C2C(=C)NCCN2C1=C
InChIInChI=1S/C15H18N4/c1-11(18-10-16-4)9-14-5-6-15-12(2)17-7-8-19(15)13(14)3/h5-6,10,17H,1-4,7-9H2/b18-10+
InChIKeyMPLRLXBIALNVFK-VCHYOVAHSA-N
XLogP2.38
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.38
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

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
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
7-Piperidin-1-yl-1,4,8,8a-tetrahydroquinazoline
CID 164164340
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

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?
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 (CID 155571300) is N'-[3-(1,6-dimethylidene-3,4-dihydro-2H-pyrido[1,2-a]pyrazin-7-yl)prop-1-en-2-yl]-N-methylidenemethanimidamide.
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?
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 is C=N/C=N/C(=C)CC1=CC=C2C(=C)NCCN2C1=C.
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?
The InChIKey is MPLRLXBIALNVFK-VCHYOVAHSA-N. The full InChI is InChI=1S/C15H18N4/c1-11(18-10-16-4)9-14-5-6-15-12(2)17-7-8-19(15)13(14)3/h5-6,10,17H,1-4,7-9H2/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?
N'-[3-(1,6-dimethylidene-3,4-dihydro-2H-pyrido[1,2-a]pyrazin-7-yl)prop-1-en-2-yl]-N-methylidenemethanimidamide has a molecular weight of 254.34 g/mol, XLogP of 2.38, 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 is sourced from PubChem (CID 155571300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).