2-amino-6-(1-propylbenzotriazol-5-yl)-4-(1H-pyrazol-5-yl)pyridine-3-carbonitrile;formic acid

C19H18N8O2 — CID 171339150

IUPAC2-amino-6-(1-propylbenzotriazol-5-yl)-4-(1H-pyrazol-5-yl)pyridine-3-carbonitrile;formic acid
SMILESCCCn1nnc2cc(-c3cc(-c4ccn[nH]4)c(C#N)c(N)n3)ccc21.O=CO
InChIInChI=1S/C18H16N8.CH2O2/c1-2-7-26-17-4-3-11(8-16(17)24-25-26)15-9-12(14-5-6-21-23-14)13(10-19)18(20)22-15;2-1-3/h3-6,8-9H,2,7H2,1H3,(H2,20,22)(H,21,23);1H,(H,2,3)
InChIKeyNLWKWLLNWKYKGM-UHFFFAOYSA-N
MW390.41 g/mol
LogP2.45
Rot. Bonds4

About 2-amino-6-(1-propylbenzotriazol-5-yl)-4-(1H-pyrazol-5-yl)pyridine-3-carbonitrile;formic acid

2-amino-6-(1-propylbenzotriazol-5-yl)-4-(1H-pyrazol-5-yl)pyridine-3-carbonitrile;formic acid (PubChem CID 171339150) has the molecular formula C19H18N8O2 and a molecular weight of 390.41 g/mol. Its IUPAC name is 2-amino-6-(1-propylbenzotriazol-5-yl)-4-(1H-pyrazol-5-yl)pyridine-3-carbonitrile;formic acid.

Molecular Properties

Compound Name2-amino-6-(1-propylbenzotriazol-5-yl)-4-(1H-pyrazol-5-yl)pyridine-3-carbonitrile;formic acid
PubChem CID171339150
Molecular FormulaC19H18N8O2
Molecular Weight390.41 g/mol
Exact Mass390.16
IUPAC Name2-amino-6-(1-propylbenzotriazol-5-yl)-4-(1H-pyrazol-5-yl)pyridine-3-carbonitrile;formic acid
SMILESCCCn1nnc2cc(-c3cc(-c4ccn[nH]4)c(C#N)c(N)n3)ccc21.O=CO
InChIInChI=1S/C18H16N8.CH2O2/c1-2-7-26-17-4-3-11(8-16(17)24-25-26)15-9-12(14-5-6-21-23-14)13(10-19)18(20)22-15;2-1-3/h3-6,8-9H,2,7H2,1H3,(H2,20,22)(H,21,23);1H,(H,2,3)
InChIKeyNLWKWLLNWKYKGM-UHFFFAOYSA-N
XLogP2.45
TPSA159.39 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(1-propylbenzotriazol-5-yl)-4-(1H-pyrazol-5-yl)pyridine-3-carbonitrile;formic acid?
The IUPAC name of 2-amino-6-(1-propylbenzotriazol-5-yl)-4-(1H-pyrazol-5-yl)pyridine-3-carbonitrile;formic acid (CID 171339150) is 2-amino-6-(1-propylbenzotriazol-5-yl)-4-(1H-pyrazol-5-yl)pyridine-3-carbonitrile;formic acid.
What is the SMILES notation for 2-amino-6-(1-propylbenzotriazol-5-yl)-4-(1H-pyrazol-5-yl)pyridine-3-carbonitrile;formic acid?
The canonical SMILES for 2-amino-6-(1-propylbenzotriazol-5-yl)-4-(1H-pyrazol-5-yl)pyridine-3-carbonitrile;formic acid is CCCn1nnc2cc(-c3cc(-c4ccn[nH]4)c(C#N)c(N)n3)ccc21.O=CO.
What is the InChIKey of 2-amino-6-(1-propylbenzotriazol-5-yl)-4-(1H-pyrazol-5-yl)pyridine-3-carbonitrile;formic acid?
The InChIKey is NLWKWLLNWKYKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N8.CH2O2/c1-2-7-26-17-4-3-11(8-16(17)24-25-26)15-9-12(14-5-6-21-23-14)13(10-19)18(20)22-15;2-1-3/h3-6,8-9H,2,7H2,1H3,(H2,20,22)(H,21,23);1H,(H,2,3).
What are the key properties of 2-amino-6-(1-propylbenzotriazol-5-yl)-4-(1H-pyrazol-5-yl)pyridine-3-carbonitrile;formic acid?
2-amino-6-(1-propylbenzotriazol-5-yl)-4-(1H-pyrazol-5-yl)pyridine-3-carbonitrile;formic acid has a molecular weight of 390.41 g/mol, XLogP of 2.45, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(1-propylbenzotriazol-5-yl)-4-(1H-pyrazol-5-yl)pyridine-3-carbonitrile;formic acid is sourced from PubChem (CID 171339150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).