4-(1H-pyrazol-5-ylmethylamino)cinnoline-3-carbonitrile

C13H10N6 — CID 64900054

IUPAC4-(1H-pyrazol-5-ylmethylamino)cinnoline-3-carbonitrile
SMILESN#Cc1nnc2ccccc2c1NCc1ccn[nH]1
InChIInChI=1S/C13H10N6/c14-7-12-13(15-8-9-5-6-16-17-9)10-3-1-2-4-11(10)18-19-12/h1-6H,8H2,(H,15,18)(H,16,17)
InChIKeyWAXHUTXFRHAEKH-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.84
Rot. Bonds3

About 4-(1H-pyrazol-5-ylmethylamino)cinnoline-3-carbonitrile

4-(1H-pyrazol-5-ylmethylamino)cinnoline-3-carbonitrile (PubChem CID 64900054) has the molecular formula C13H10N6 and a molecular weight of 250.27 g/mol. Its IUPAC name is 4-(1H-pyrazol-5-ylmethylamino)cinnoline-3-carbonitrile.

Molecular Properties

Compound Name4-(1H-pyrazol-5-ylmethylamino)cinnoline-3-carbonitrile
PubChem CID64900054
Molecular FormulaC13H10N6
Molecular Weight250.27 g/mol
Exact Mass250.10
IUPAC Name4-(1H-pyrazol-5-ylmethylamino)cinnoline-3-carbonitrile
SMILESN#Cc1nnc2ccccc2c1NCc1ccn[nH]1
InChIInChI=1S/C13H10N6/c14-7-12-13(15-8-9-5-6-16-17-9)10-3-1-2-4-11(10)18-19-12/h1-6H,8H2,(H,15,18)(H,16,17)
InChIKeyWAXHUTXFRHAEKH-UHFFFAOYSA-N
XLogP1.84
TPSA90.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrazol-5-ylmethylamino)cinnoline-3-carbonitrile?
The IUPAC name of 4-(1H-pyrazol-5-ylmethylamino)cinnoline-3-carbonitrile (CID 64900054) is 4-(1H-pyrazol-5-ylmethylamino)cinnoline-3-carbonitrile.
What is the SMILES notation for 4-(1H-pyrazol-5-ylmethylamino)cinnoline-3-carbonitrile?
The canonical SMILES for 4-(1H-pyrazol-5-ylmethylamino)cinnoline-3-carbonitrile is N#Cc1nnc2ccccc2c1NCc1ccn[nH]1.
What is the InChIKey of 4-(1H-pyrazol-5-ylmethylamino)cinnoline-3-carbonitrile?
The InChIKey is WAXHUTXFRHAEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N6/c14-7-12-13(15-8-9-5-6-16-17-9)10-3-1-2-4-11(10)18-19-12/h1-6H,8H2,(H,15,18)(H,16,17).
What are the key properties of 4-(1H-pyrazol-5-ylmethylamino)cinnoline-3-carbonitrile?
4-(1H-pyrazol-5-ylmethylamino)cinnoline-3-carbonitrile has a molecular weight of 250.27 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrazol-5-ylmethylamino)cinnoline-3-carbonitrile is sourced from PubChem (CID 64900054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).