(7S)-N,N-diethyl-7-(3-hydroxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide

C16H20N6O2 — CID 135915908

IUPAC(7S)-N,N-diethyl-7-(3-hydroxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCN(CC)C(=O)C1=C(C)Nc2nnnn2[C@H]1c1cccc(O)c1
InChIInChI=1S/C16H20N6O2/c1-4-21(5-2)15(24)13-10(3)17-16-18-19-20-22(16)14(13)11-7-6-8-12(23)9-11/h6-9,14,23H,4-5H2,1-3H3,(H,17,18,20)/t14-/m0/s1
InChIKeyNKWDNAOTLBAZTP-AWEZNQCLSA-N
MW328.38 g/mol
LogP1.54
Rot. Bonds4

About (7S)-N,N-diethyl-7-(3-hydroxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide

(7S)-N,N-diethyl-7-(3-hydroxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135915908) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is (7S)-N,N-diethyl-7-(3-hydroxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name(7S)-N,N-diethyl-7-(3-hydroxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135915908
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name(7S)-N,N-diethyl-7-(3-hydroxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCN(CC)C(=O)C1=C(C)Nc2nnnn2[C@H]1c1cccc(O)c1
InChIInChI=1S/C16H20N6O2/c1-4-21(5-2)15(24)13-10(3)17-16-18-19-20-22(16)14(13)11-7-6-8-12(23)9-11/h6-9,14,23H,4-5H2,1-3H3,(H,17,18,20)/t14-/m0/s1
InChIKeyNKWDNAOTLBAZTP-AWEZNQCLSA-N
XLogP1.54
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (7S)-N,N-diethyl-7-(3-hydroxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide with MolForge

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Related Compounds

(7R)-N,N-diethyl-5-methyl-7-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135737296
(7R)-N,N-diethyl-7-(4-fluorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135591582
ethyl 7-(3-chlorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 4166925
ethyl 5-methyl-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 2914581
methyl (7R)-7-(3-hydroxyphenyl)-6-(4-methylbenzoyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate
CID 135562596
methyl (7S)-7-(3-hydroxyphenyl)-6-(4-methylbenzoyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate
CID 135562597
ethyl 7-[4-(6-ethoxycarbonyl-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl)phenyl]-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 154077446
methyl 7-(3-fluorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 2979271
butyl 7-(3-bromophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 135572437
pentyl 7-(3-chlorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 135573115
2-methoxyethyl 7-(3-bromophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 135633137
propan-2-yl (7S)-7-(3-fluorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 135930771

Frequently Asked Questions

What is the IUPAC name of (7S)-N,N-diethyl-7-(3-hydroxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of (7S)-N,N-diethyl-7-(3-hydroxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 135915908) is (7S)-N,N-diethyl-7-(3-hydroxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for (7S)-N,N-diethyl-7-(3-hydroxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for (7S)-N,N-diethyl-7-(3-hydroxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is CCN(CC)C(=O)C1=C(C)Nc2nnnn2[C@H]1c1cccc(O)c1.
What is the InChIKey of (7S)-N,N-diethyl-7-(3-hydroxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is NKWDNAOTLBAZTP-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-4-21(5-2)15(24)13-10(3)17-16-18-19-20-22(16)14(13)11-7-6-8-12(23)9-11/h6-9,14,23H,4-5H2,1-3H3,(H,17,18,20)/t14-/m0/s1.
What are the key properties of (7S)-N,N-diethyl-7-(3-hydroxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
(7S)-N,N-diethyl-7-(3-hydroxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-N,N-diethyl-7-(3-hydroxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135915908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).