N-methyl-N-propyl-3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

C15H20N6O — CID 138043955

IUPACN-methyl-N-propyl-3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
SMILESCCCN(C)C(=O)N1CCn2c(nnc2-c2cccnc2)C1
InChIInChI=1S/C15H20N6O/c1-3-7-19(2)15(22)20-8-9-21-13(11-20)17-18-14(21)12-5-4-6-16-10-12/h4-6,10H,3,7-9,11H2,1-2H3
InChIKeyYGKIRAXYHKVCPU-UHFFFAOYSA-N
MW300.37 g/mol
LogP1.62
Rot. Bonds3

About N-methyl-N-propyl-3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

N-methyl-N-propyl-3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide (PubChem CID 138043955) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is N-methyl-N-propyl-3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-methyl-N-propyl-3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
PubChem CID138043955
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC NameN-methyl-N-propyl-3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
SMILESCCCN(C)C(=O)N1CCn2c(nnc2-c2cccnc2)C1
InChIInChI=1S/C15H20N6O/c1-3-7-19(2)15(22)20-8-9-21-13(11-20)17-18-14(21)12-5-4-6-16-10-12/h4-6,10H,3,7-9,11H2,1-2H3
InChIKeyYGKIRAXYHKVCPU-UHFFFAOYSA-N
XLogP1.62
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydro-1H-inden-4-yl-(3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 127613842
3-phenyl-N-[(1S)-1-pyridin-4-ylethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 96520038
2-(methylamino)-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
CID 120704817
3-amino-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one
CID 119898835
7-[bis(4-chlorophenyl)methyl]-3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 168958173
(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-pyridin-2-ylmethanone
CID 134793170
3-pyridin-3-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]thiazepine
CID 157014981
(6-methyl-2-pyridin-3-ylquinolin-4-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 154861494
1-(azepan-1-yl)-2-[(4-propyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 3214611
2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethylacetamide
CID 8917020
tert-butyl 3-(3-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
CID 166597537
(1-methyl-1,2,4-triazol-3-yl)-[3-[(pyridin-3-ylamino)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 131691086

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propyl-3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The IUPAC name of N-methyl-N-propyl-3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide (CID 138043955) is N-methyl-N-propyl-3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-methyl-N-propyl-3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The canonical SMILES for N-methyl-N-propyl-3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide is CCCN(C)C(=O)N1CCn2c(nnc2-c2cccnc2)C1.
What is the InChIKey of N-methyl-N-propyl-3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The InChIKey is YGKIRAXYHKVCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-3-7-19(2)15(22)20-8-9-21-13(11-20)17-18-14(21)12-5-4-6-16-10-12/h4-6,10H,3,7-9,11H2,1-2H3.
What are the key properties of N-methyl-N-propyl-3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
N-methyl-N-propyl-3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide has a molecular weight of 300.37 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propyl-3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide is sourced from PubChem (CID 138043955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).