7-methyl-N-[2-(methylamino)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride

C10H16Cl2N6O — CID 119504074

IUPAC7-methyl-N-[2-(methylamino)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride
SMILESCNCCNC(=O)c1nc2nccc(C)n2n1.Cl.Cl
InChIInChI=1S/C10H14N6O.2ClH/c1-7-3-4-13-10-14-8(15-16(7)10)9(17)12-6-5-11-2;;/h3-4,11H,5-6H2,1-2H3,(H,12,17);2*1H
InChIKeyBFBVSWWTUPOOIQ-UHFFFAOYSA-N
MW307.19 g/mol
LogP0.23
Rot. Bonds4

About 7-methyl-N-[2-(methylamino)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride

7-methyl-N-[2-(methylamino)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride (PubChem CID 119504074) has the molecular formula C10H16Cl2N6O and a molecular weight of 307.19 g/mol. Its IUPAC name is 7-methyl-N-[2-(methylamino)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name7-methyl-N-[2-(methylamino)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride
PubChem CID119504074
Molecular FormulaC10H16Cl2N6O
Molecular Weight307.19 g/mol
Exact Mass306.08
IUPAC Name7-methyl-N-[2-(methylamino)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride
SMILESCNCCNC(=O)c1nc2nccc(C)n2n1.Cl.Cl
InChIInChI=1S/C10H14N6O.2ClH/c1-7-3-4-13-10-14-8(15-16(7)10)9(17)12-6-5-11-2;;/h3-4,11H,5-6H2,1-2H3,(H,12,17);2*1H
InChIKeyBFBVSWWTUPOOIQ-UHFFFAOYSA-N
XLogP0.23
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[2-(methylamino)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride?
The IUPAC name of 7-methyl-N-[2-(methylamino)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride (CID 119504074) is 7-methyl-N-[2-(methylamino)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for 7-methyl-N-[2-(methylamino)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride?
The canonical SMILES for 7-methyl-N-[2-(methylamino)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride is CNCCNC(=O)c1nc2nccc(C)n2n1.Cl.Cl.
What is the InChIKey of 7-methyl-N-[2-(methylamino)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride?
The InChIKey is BFBVSWWTUPOOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O.2ClH/c1-7-3-4-13-10-14-8(15-16(7)10)9(17)12-6-5-11-2;;/h3-4,11H,5-6H2,1-2H3,(H,12,17);2*1H.
What are the key properties of 7-methyl-N-[2-(methylamino)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride?
7-methyl-N-[2-(methylamino)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride has a molecular weight of 307.19 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[2-(methylamino)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119504074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).