(7R)-N,N-diethyl-5-methyl-7-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide

C15H19N7O — CID 135737296

IUPAC(7R)-N,N-diethyl-5-methyl-7-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCN(CC)C(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cccnc1
InChIInChI=1S/C15H19N7O/c1-4-21(5-2)14(23)12-10(3)17-15-18-19-20-22(15)13(12)11-7-6-8-16-9-11/h6-9,13H,4-5H2,1-3H3,(H,17,18,20)/t13-/m1/s1
InChIKeyRIPLLQDSSRVPSR-CYBMUJFWSA-N
MW313.37 g/mol
LogP1.23
Rot. Bonds4

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

(7R)-N,N-diethyl-5-methyl-7-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135737296) has the molecular formula C15H19N7O and a molecular weight of 313.37 g/mol. Its IUPAC name is (7R)-N,N-diethyl-5-methyl-7-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name(7R)-N,N-diethyl-5-methyl-7-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135737296
Molecular FormulaC15H19N7O
Molecular Weight313.37 g/mol
Exact Mass313.17
IUPAC Name(7R)-N,N-diethyl-5-methyl-7-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCN(CC)C(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cccnc1
InChIInChI=1S/C15H19N7O/c1-4-21(5-2)14(23)12-10(3)17-15-18-19-20-22(15)13(12)11-7-6-8-16-9-11/h6-9,13H,4-5H2,1-3H3,(H,17,18,20)/t13-/m1/s1
InChIKeyRIPLLQDSSRVPSR-CYBMUJFWSA-N
XLogP1.23
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(7S)-N,N-diethyl-7-(3-hydroxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135915908
(7R)-N,N-diethyl-7-(4-fluorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135591582
tert-butyl 5-methyl-7-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 135633158
(7R)-5-methyl-7-phenyl-N-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 693556
ethyl 5-methyl-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 2914581
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
(7R)-7-(4-methoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 1188356
ethyl 7-(3-chlorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 4166925
methyl (7R)-7-[4-[2-(diethylamino)-2-oxoethoxy]phenyl]-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 135611353
ethyl 2-(4-fluorophenyl)-5-methyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 135718850
2-methoxyethyl (7R)-5-methyl-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 135814915
(7R)-2-(2-chlorophenyl)-5-methyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 1181575

Frequently Asked Questions

What is the IUPAC name of (7R)-N,N-diethyl-5-methyl-7-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of (7R)-N,N-diethyl-5-methyl-7-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 135737296) is (7R)-N,N-diethyl-5-methyl-7-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for (7R)-N,N-diethyl-5-methyl-7-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for (7R)-N,N-diethyl-5-methyl-7-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is CCN(CC)C(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cccnc1.
What is the InChIKey of (7R)-N,N-diethyl-5-methyl-7-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is RIPLLQDSSRVPSR-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19N7O/c1-4-21(5-2)14(23)12-10(3)17-15-18-19-20-22(15)13(12)11-7-6-8-16-9-11/h6-9,13H,4-5H2,1-3H3,(H,17,18,20)/t13-/m1/s1.
What are the key properties of (7R)-N,N-diethyl-5-methyl-7-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
(7R)-N,N-diethyl-5-methyl-7-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 313.37 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-N,N-diethyl-5-methyl-7-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135737296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).