N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine

C19H20N10 — CID 71721718

IUPACN-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
SMILESCN(C)Cc1nc2ccc(Nc3nc4c(-c5cnn(C)c5)nccn4n3)cc2[nH]1
InChIInChI=1S/C19H20N10/c1-27(2)11-16-23-14-5-4-13(8-15(14)24-16)22-19-25-18-17(12-9-21-28(3)10-12)20-6-7-29(18)26-19/h4-10H,11H2,1-3H3,(H,22,26)(H,23,24)
InChIKeyMIJKXSWNOOQXTQ-UHFFFAOYSA-N
MW388.44 g/mol
LogP2.21
Rot. Bonds5

About N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine

N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine (PubChem CID 71721718) has the molecular formula C19H20N10 and a molecular weight of 388.44 g/mol. Its IUPAC name is N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine.

Molecular Properties

Compound NameN-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
PubChem CID71721718
Molecular FormulaC19H20N10
Molecular Weight388.44 g/mol
Exact Mass388.19
IUPAC NameN-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
SMILESCN(C)Cc1nc2ccc(Nc3nc4c(-c5cnn(C)c5)nccn4n3)cc2[nH]1
InChIInChI=1S/C19H20N10/c1-27(2)11-16-23-14-5-4-13(8-15(14)24-16)22-19-25-18-17(12-9-21-28(3)10-12)20-6-7-29(18)26-19/h4-10H,11H2,1-3H3,(H,22,26)(H,23,24)
InChIKeyMIJKXSWNOOQXTQ-UHFFFAOYSA-N
XLogP2.21
TPSA104.85 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The IUPAC name of N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine (CID 71721718) is N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine.
What is the SMILES notation for N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The canonical SMILES for N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine is CN(C)Cc1nc2ccc(Nc3nc4c(-c5cnn(C)c5)nccn4n3)cc2[nH]1.
What is the InChIKey of N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The InChIKey is MIJKXSWNOOQXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N10/c1-27(2)11-16-23-14-5-4-13(8-15(14)24-16)22-19-25-18-17(12-9-21-28(3)10-12)20-6-7-29(18)26-19/h4-10H,11H2,1-3H3,(H,22,26)(H,23,24).
What are the key properties of N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine has a molecular weight of 388.44 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine is sourced from PubChem (CID 71721718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).