2-(4-amino-3-pyridin-3-yl-4,5,6,7-tetrahydroindazol-1-yl)acetonitrile

C14H15N5 — CID 82592131

IUPAC2-(4-amino-3-pyridin-3-yl-4,5,6,7-tetrahydroindazol-1-yl)acetonitrile
SMILESN#CCn1nc(-c2cccnc2)c2c1CCCC2N
InChIInChI=1S/C14H15N5/c15-6-8-19-12-5-1-4-11(16)13(12)14(18-19)10-3-2-7-17-9-10/h2-3,7,9,11H,1,4-5,8,16H2
InChIKeyFXNXZYWDGJTIIN-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.80
Rot. Bonds2

About 2-(4-amino-3-pyridin-3-yl-4,5,6,7-tetrahydroindazol-1-yl)acetonitrile

2-(4-amino-3-pyridin-3-yl-4,5,6,7-tetrahydroindazol-1-yl)acetonitrile (PubChem CID 82592131) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-(4-amino-3-pyridin-3-yl-4,5,6,7-tetrahydroindazol-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-amino-3-pyridin-3-yl-4,5,6,7-tetrahydroindazol-1-yl)acetonitrile
PubChem CID82592131
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name2-(4-amino-3-pyridin-3-yl-4,5,6,7-tetrahydroindazol-1-yl)acetonitrile
SMILESN#CCn1nc(-c2cccnc2)c2c1CCCC2N
InChIInChI=1S/C14H15N5/c15-6-8-19-12-5-1-4-11(16)13(12)14(18-19)10-3-2-7-17-9-10/h2-3,7,9,11H,1,4-5,8,16H2
InChIKeyFXNXZYWDGJTIIN-UHFFFAOYSA-N
XLogP1.80
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-pyridin-3-yl-4,5,6,7-tetrahydroindazol-1-yl)acetonitrile?
The IUPAC name of 2-(4-amino-3-pyridin-3-yl-4,5,6,7-tetrahydroindazol-1-yl)acetonitrile (CID 82592131) is 2-(4-amino-3-pyridin-3-yl-4,5,6,7-tetrahydroindazol-1-yl)acetonitrile.
What is the SMILES notation for 2-(4-amino-3-pyridin-3-yl-4,5,6,7-tetrahydroindazol-1-yl)acetonitrile?
The canonical SMILES for 2-(4-amino-3-pyridin-3-yl-4,5,6,7-tetrahydroindazol-1-yl)acetonitrile is N#CCn1nc(-c2cccnc2)c2c1CCCC2N.
What is the InChIKey of 2-(4-amino-3-pyridin-3-yl-4,5,6,7-tetrahydroindazol-1-yl)acetonitrile?
The InChIKey is FXNXZYWDGJTIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c15-6-8-19-12-5-1-4-11(16)13(12)14(18-19)10-3-2-7-17-9-10/h2-3,7,9,11H,1,4-5,8,16H2.
What are the key properties of 2-(4-amino-3-pyridin-3-yl-4,5,6,7-tetrahydroindazol-1-yl)acetonitrile?
2-(4-amino-3-pyridin-3-yl-4,5,6,7-tetrahydroindazol-1-yl)acetonitrile has a molecular weight of 253.31 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-pyridin-3-yl-4,5,6,7-tetrahydroindazol-1-yl)acetonitrile is sourced from PubChem (CID 82592131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).