5-methyl-7-(3-phenylmethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide

C19H18N6O2 — CID 3243775

IUPAC5-methyl-7-(3-phenylmethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(N)=O)C(c2cccc(OCc3ccccc3)c2)n2nnnc2N1
InChIInChI=1S/C19H18N6O2/c1-12-16(18(20)26)17(25-19(21-12)22-23-24-25)14-8-5-9-15(10-14)27-11-13-6-3-2-4-7-13/h2-10,17H,11H2,1H3,(H2,20,26)(H,21,22,24)
InChIKeyIPCFXFGBLNKHLA-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.03
Rot. Bonds5

About 5-methyl-7-(3-phenylmethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide

5-methyl-7-(3-phenylmethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 3243775) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is 5-methyl-7-(3-phenylmethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-methyl-7-(3-phenylmethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID3243775
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC Name5-methyl-7-(3-phenylmethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(N)=O)C(c2cccc(OCc3ccccc3)c2)n2nnnc2N1
InChIInChI=1S/C19H18N6O2/c1-12-16(18(20)26)17(25-19(21-12)22-23-24-25)14-8-5-9-15(10-14)27-11-13-6-3-2-4-7-13/h2-10,17H,11H2,1H3,(H2,20,26)(H,21,22,24)
InChIKeyIPCFXFGBLNKHLA-UHFFFAOYSA-N
XLogP2.03
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Ethyl 7-(3-hydroxyphenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 2790884
Butyl 7-(3-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 3242331
5-(3-Methoxyphenyl)-7-phenyl-3,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 661596
Isopropyl 7-(3-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 2792555
Ethyl 7-(2,3-dimethoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 2792604
7-(3,4-Dimethoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 2792766
6-Acetyl-5-methyl-7-[3-(phenylmethoxy)phenyl]-4,7,8-trihydro-1,2,4-triazolo[1, 5-a]pyrimidine
CID 2792916
1-{7-[3-Methoxy-4-(pentyloxy)phenyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethanone
CID 2792917
1-{7-[2-(Benzyloxy)phenyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethanone
CID 2792920
9-(2-methoxyphenyl)-6,6-dimethyl-5,6,7,9-tetrahydrotetrazolo[5,1-b]quinazolin-8(4H)-one
CID 2966415
Methyl 4-(8-oxa-12,13,14,15,17-pentazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaen-11-yl)benzoate
CID 2999145
Allyl 7-(2,5-dimethoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 3238371

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(3-phenylmethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-methyl-7-(3-phenylmethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 3243775) is 5-methyl-7-(3-phenylmethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-methyl-7-(3-phenylmethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-methyl-7-(3-phenylmethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(N)=O)C(c2cccc(OCc3ccccc3)c2)n2nnnc2N1.
What is the InChIKey of 5-methyl-7-(3-phenylmethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is IPCFXFGBLNKHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-12-16(18(20)26)17(25-19(21-12)22-23-24-25)14-8-5-9-15(10-14)27-11-13-6-3-2-4-7-13/h2-10,17H,11H2,1H3,(H2,20,26)(H,21,22,24).
What are the key properties of 5-methyl-7-(3-phenylmethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
5-methyl-7-(3-phenylmethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(3-phenylmethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3243775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).