7-(2-butoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide

C16H20N6O2 — CID 2975261

IUPAC7-(2-butoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCCOc1ccccc1C1C(C(N)=O)=C(C)Nc2nnnn21
InChIInChI=1S/C16H20N6O2/c1-3-4-9-24-12-8-6-5-7-11(12)14-13(15(17)23)10(2)18-16-19-20-21-22(14)16/h5-8,14H,3-4,9H2,1-2H3,(H2,17,23)(H,18,19,21)
InChIKeyUDCYUGSEKFQDKJ-UHFFFAOYSA-N
MW328.38 g/mol
LogP1.63
Rot. Bonds6

About 7-(2-butoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide

7-(2-butoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 2975261) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 7-(2-butoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-(2-butoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID2975261
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name7-(2-butoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCCOc1ccccc1C1C(C(N)=O)=C(C)Nc2nnnn21
InChIInChI=1S/C16H20N6O2/c1-3-4-9-24-12-8-6-5-7-11(12)14-13(15(17)23)10(2)18-16-19-20-21-22(14)16/h5-8,14H,3-4,9H2,1-2H3,(H2,17,23)(H,18,19,21)
InChIKeyUDCYUGSEKFQDKJ-UHFFFAOYSA-N
XLogP1.63
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(2-butoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-(2-butoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 2975261) is 7-(2-butoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-(2-butoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-(2-butoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is CCCCOc1ccccc1C1C(C(N)=O)=C(C)Nc2nnnn21.
What is the InChIKey of 7-(2-butoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is UDCYUGSEKFQDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-3-4-9-24-12-8-6-5-7-11(12)14-13(15(17)23)10(2)18-16-19-20-21-22(14)16/h5-8,14H,3-4,9H2,1-2H3,(H2,17,23)(H,18,19,21).
What are the key properties of 7-(2-butoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
7-(2-butoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-butoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 2975261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).