N-[4-(dimethylamino)pyrimidin-5-yl]-3,7-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide

C14H20N8O — CID 167924110

IUPACN-[4-(dimethylamino)pyrimidin-5-yl]-3,7-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide
SMILESCc1nnc2n1CC(C(=O)Nc1cncnc1N(C)C)N(C)C2
InChIInChI=1S/C14H20N8O/c1-9-18-19-12-7-21(4)11(6-22(9)12)14(23)17-10-5-15-8-16-13(10)20(2)3/h5,8,11H,6-7H2,1-4H3,(H,17,23)
InChIKeyQAPIZMRIKYTTMD-UHFFFAOYSA-N
MW316.37 g/mol
LogP-0.10
Rot. Bonds3

About N-[4-(dimethylamino)pyrimidin-5-yl]-3,7-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide

N-[4-(dimethylamino)pyrimidin-5-yl]-3,7-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide (PubChem CID 167924110) has the molecular formula C14H20N8O and a molecular weight of 316.37 g/mol. Its IUPAC name is N-[4-(dimethylamino)pyrimidin-5-yl]-3,7-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)pyrimidin-5-yl]-3,7-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide
PubChem CID167924110
Molecular FormulaC14H20N8O
Molecular Weight316.37 g/mol
Exact Mass316.18
IUPAC NameN-[4-(dimethylamino)pyrimidin-5-yl]-3,7-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide
SMILESCc1nnc2n1CC(C(=O)Nc1cncnc1N(C)C)N(C)C2
InChIInChI=1S/C14H20N8O/c1-9-18-19-12-7-21(4)11(6-22(9)12)14(23)17-10-5-15-8-16-13(10)20(2)3/h5,8,11H,6-7H2,1-4H3,(H,17,23)
InChIKeyQAPIZMRIKYTTMD-UHFFFAOYSA-N
XLogP-0.10
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)pyrimidin-5-yl]-3,7-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide?
The IUPAC name of N-[4-(dimethylamino)pyrimidin-5-yl]-3,7-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide (CID 167924110) is N-[4-(dimethylamino)pyrimidin-5-yl]-3,7-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)pyrimidin-5-yl]-3,7-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)pyrimidin-5-yl]-3,7-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide is Cc1nnc2n1CC(C(=O)Nc1cncnc1N(C)C)N(C)C2.
What is the InChIKey of N-[4-(dimethylamino)pyrimidin-5-yl]-3,7-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide?
The InChIKey is QAPIZMRIKYTTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N8O/c1-9-18-19-12-7-21(4)11(6-22(9)12)14(23)17-10-5-15-8-16-13(10)20(2)3/h5,8,11H,6-7H2,1-4H3,(H,17,23).
What are the key properties of N-[4-(dimethylamino)pyrimidin-5-yl]-3,7-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide?
N-[4-(dimethylamino)pyrimidin-5-yl]-3,7-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide has a molecular weight of 316.37 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)pyrimidin-5-yl]-3,7-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide is sourced from PubChem (CID 167924110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).