7-methyl-2-[[3-methyl-4-(tetrazol-1-yl)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one

C18H17N7O — CID 42884024

IUPAC7-methyl-2-[[3-methyl-4-(tetrazol-1-yl)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CNc3ccc(-n4cnnn4)c(C)c3)cc(=O)n2c1
InChIInChI=1S/C18H17N7O/c1-12-3-6-17-21-15(8-18(26)24(17)10-12)9-19-14-4-5-16(13(2)7-14)25-11-20-22-23-25/h3-8,10-11,19H,9H2,1-2H3
InChIKeyHQOIYCXVBCVYGX-UHFFFAOYSA-N
MW347.38 g/mol
LogP1.90
Rot. Bonds4

About 7-methyl-2-[[3-methyl-4-(tetrazol-1-yl)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one

7-methyl-2-[[3-methyl-4-(tetrazol-1-yl)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 42884024) has the molecular formula C18H17N7O and a molecular weight of 347.38 g/mol. Its IUPAC name is 7-methyl-2-[[3-methyl-4-(tetrazol-1-yl)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-methyl-2-[[3-methyl-4-(tetrazol-1-yl)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID42884024
Molecular FormulaC18H17N7O
Molecular Weight347.38 g/mol
Exact Mass347.15
IUPAC Name7-methyl-2-[[3-methyl-4-(tetrazol-1-yl)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CNc3ccc(-n4cnnn4)c(C)c3)cc(=O)n2c1
InChIInChI=1S/C18H17N7O/c1-12-3-6-17-21-15(8-18(26)24(17)10-12)9-19-14-4-5-16(13(2)7-14)25-11-20-22-23-25/h3-8,10-11,19H,9H2,1-2H3
InChIKeyHQOIYCXVBCVYGX-UHFFFAOYSA-N
XLogP1.90
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-methyl-2-[[3-methyl-4-(tetrazol-1-yl)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

7-[[3-methyl-4-(tetrazol-1-yl)anilino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 46566858
3-methyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 56795594
2-methyl-7-[[3-methyl-4-(tetrazol-1-yl)anilino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 55894578
3-methyl-N-[(1-methyltriazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 62756138
N-ethyl-3-methyl-4-(tetrazol-1-yl)aniline
CID 43732922
2-[(2-bromo-4-methylanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 51253064
N-heptyl-3-methyl-4-(tetrazol-1-yl)aniline
CID 43732890
3-methyl-4-(tetrazol-1-yl)-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63655002
3-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-(tetrazol-1-yl)aniline
CID 104756623
2-[(3,4-dimethylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60671061
3-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 62743208
2-[(4-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60671462

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[[3-methyl-4-(tetrazol-1-yl)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-methyl-2-[[3-methyl-4-(tetrazol-1-yl)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 42884024) is 7-methyl-2-[[3-methyl-4-(tetrazol-1-yl)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-methyl-2-[[3-methyl-4-(tetrazol-1-yl)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-methyl-2-[[3-methyl-4-(tetrazol-1-yl)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1ccc2nc(CNc3ccc(-n4cnnn4)c(C)c3)cc(=O)n2c1.
What is the InChIKey of 7-methyl-2-[[3-methyl-4-(tetrazol-1-yl)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is HQOIYCXVBCVYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O/c1-12-3-6-17-21-15(8-18(26)24(17)10-12)9-19-14-4-5-16(13(2)7-14)25-11-20-22-23-25/h3-8,10-11,19H,9H2,1-2H3.
What are the key properties of 7-methyl-2-[[3-methyl-4-(tetrazol-1-yl)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one?
7-methyl-2-[[3-methyl-4-(tetrazol-1-yl)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 347.38 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[[3-methyl-4-(tetrazol-1-yl)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 42884024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).