N,N-diethyl-5-methyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C16H20N6O — CID 2793390

IUPACN,N-diethyl-5-methyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCN(CC)C(=O)C1=C(C)Nc2ncnn2C1c1cccnc1
InChIInChI=1S/C16H20N6O/c1-4-21(5-2)15(23)13-11(3)20-16-18-10-19-22(16)14(13)12-7-6-8-17-9-12/h6-10,14H,4-5H2,1-3H3,(H,18,19,20)
InChIKeySYCLJVQVALICGD-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.83
Rot. Bonds4

About N,N-diethyl-5-methyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

N,N-diethyl-5-methyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 2793390) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is N,N-diethyl-5-methyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-5-methyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID2793390
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC NameN,N-diethyl-5-methyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCN(CC)C(=O)C1=C(C)Nc2ncnn2C1c1cccnc1
InChIInChI=1S/C16H20N6O/c1-4-21(5-2)15(23)13-11(3)20-16-18-10-19-22(16)14(13)12-7-6-8-17-9-12/h6-10,14H,4-5H2,1-3H3,(H,18,19,20)
InChIKeySYCLJVQVALICGD-UHFFFAOYSA-N
XLogP1.83
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-methyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N,N-diethyl-5-methyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 2793390) is N,N-diethyl-5-methyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N,N-diethyl-5-methyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N,N-diethyl-5-methyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CCN(CC)C(=O)C1=C(C)Nc2ncnn2C1c1cccnc1.
What is the InChIKey of N,N-diethyl-5-methyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is SYCLJVQVALICGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-4-21(5-2)15(23)13-11(3)20-16-18-10-19-22(16)14(13)12-7-6-8-17-9-12/h6-10,14H,4-5H2,1-3H3,(H,18,19,20).
What are the key properties of N,N-diethyl-5-methyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
N,N-diethyl-5-methyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 312.38 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-methyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 2793390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).