N-methyl-1-(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)piperazine-2-carboxamide

C12H17N7O2 — CID 66283572

IUPACN-methyl-1-(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)piperazine-2-carboxamide
SMILESCNC(=O)C1CNCCN1c1cc2n[nH]c(=O)n2c(C)n1
InChIInChI=1S/C12H17N7O2/c1-7-15-9(5-10-16-17-12(21)19(7)10)18-4-3-14-6-8(18)11(20)13-2/h5,8,14H,3-4,6H2,1-2H3,(H,13,20)(H,17,21)
InChIKeyXHHVZUQBIBNHBM-UHFFFAOYSA-N
MW291.32 g/mol
LogP-1.75
Rot. Bonds2

About N-methyl-1-(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)piperazine-2-carboxamide

N-methyl-1-(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)piperazine-2-carboxamide (PubChem CID 66283572) has the molecular formula C12H17N7O2 and a molecular weight of 291.32 g/mol. Its IUPAC name is N-methyl-1-(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)piperazine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)piperazine-2-carboxamide
PubChem CID66283572
Molecular FormulaC12H17N7O2
Molecular Weight291.32 g/mol
Exact Mass291.14
IUPAC NameN-methyl-1-(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)piperazine-2-carboxamide
SMILESCNC(=O)C1CNCCN1c1cc2n[nH]c(=O)n2c(C)n1
InChIInChI=1S/C12H17N7O2/c1-7-15-9(5-10-16-17-12(21)19(7)10)18-4-3-14-6-8(18)11(20)13-2/h5,8,14H,3-4,6H2,1-2H3,(H,13,20)(H,17,21)
InChIKeyXHHVZUQBIBNHBM-UHFFFAOYSA-N
XLogP-1.75
TPSA107.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 5-1.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxamide
CID 136989399
1-(4-cyano-6-methyl-2-pyridinyl)-N-methylpiperazine-2-carboxamide
CID 114770105
N-methyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperazine-2-carboxamide
CID 115372790
5-methyl-7-[propyl(pyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66283178
N'-hydroxy-4-(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)morpholine-2-carboximidamide
CID 79670684
N-methyl-1-(2-oxo-1H-pyrazin-3-yl)piperazine-2-carboxamide
CID 114570988
N-ethyl-1-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-2-carboxamide
CID 66333888
1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperazine-2-carboxamide
CID 136978451
7-(2-cyclopropyl-2-oxoethyl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66277717
(2R)-1-(2-chloro-6-methylpyrimidin-4-yl)piperazine-2-carboxylic acid
CID 97162747
1-(3-bromo-5-chloro-2-pyridinyl)-N-methylpiperazine-2-carboxamide
CID 114836327
5-methyl-7-[(4-methylpiperidin-4-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 114697378

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)piperazine-2-carboxamide?
The IUPAC name of N-methyl-1-(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)piperazine-2-carboxamide (CID 66283572) is N-methyl-1-(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)piperazine-2-carboxamide.
What is the SMILES notation for N-methyl-1-(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)piperazine-2-carboxamide?
The canonical SMILES for N-methyl-1-(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)piperazine-2-carboxamide is CNC(=O)C1CNCCN1c1cc2n[nH]c(=O)n2c(C)n1.
What is the InChIKey of N-methyl-1-(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)piperazine-2-carboxamide?
The InChIKey is XHHVZUQBIBNHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7O2/c1-7-15-9(5-10-16-17-12(21)19(7)10)18-4-3-14-6-8(18)11(20)13-2/h5,8,14H,3-4,6H2,1-2H3,(H,13,20)(H,17,21).
What are the key properties of N-methyl-1-(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)piperazine-2-carboxamide?
N-methyl-1-(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)piperazine-2-carboxamide has a molecular weight of 291.32 g/mol, XLogP of -1.75, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)piperazine-2-carboxamide is sourced from PubChem (CID 66283572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).