N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine

C19H20N6O — CID 86772872

IUPACN-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESCc1nnc2n1CC(NCc1cn[nH]c1-c1cc3ccccc3o1)CC2
InChIInChI=1S/C19H20N6O/c1-12-22-23-18-7-6-15(11-25(12)18)20-9-14-10-21-24-19(14)17-8-13-4-2-3-5-16(13)26-17/h2-5,8,10,15,20H,6-7,9,11H2,1H3,(H,21,24)
InChIKeyCCRMKQQKANBQNC-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.83
Rot. Bonds4

About N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine

N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine (PubChem CID 86772872) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine.

Molecular Properties

Compound NameN-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
PubChem CID86772872
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC NameN-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESCc1nnc2n1CC(NCc1cn[nH]c1-c1cc3ccccc3o1)CC2
InChIInChI=1S/C19H20N6O/c1-12-22-23-18-7-6-15(11-25(12)18)20-9-14-10-21-24-19(14)17-8-13-4-2-3-5-16(13)26-17/h2-5,8,10,15,20H,6-7,9,11H2,1H3,(H,21,24)
InChIKeyCCRMKQQKANBQNC-UHFFFAOYSA-N
XLogP2.83
TPSA84.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The IUPAC name of N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine (CID 86772872) is N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine.
What is the SMILES notation for N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The canonical SMILES for N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine is Cc1nnc2n1CC(NCc1cn[nH]c1-c1cc3ccccc3o1)CC2.
What is the InChIKey of N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The InChIKey is CCRMKQQKANBQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-12-22-23-18-7-6-15(11-25(12)18)20-9-14-10-21-24-19(14)17-8-13-4-2-3-5-16(13)26-17/h2-5,8,10,15,20H,6-7,9,11H2,1H3,(H,21,24).
What are the key properties of N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine has a molecular weight of 348.41 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine is sourced from PubChem (CID 86772872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).