2-(3-amino-1H-indazol-4-yl)acetonitrile

C9H8N4 — CID 118047288

IUPAC2-(3-amino-1H-indazol-4-yl)acetonitrile
SMILESN#CCc1cccc2[nH]nc(N)c12
InChIInChI=1S/C9H8N4/c10-5-4-6-2-1-3-7-8(6)9(11)13-12-7/h1-3H,4H2,(H3,11,12,13)
InChIKeyKZVPEQKNJDTGQM-UHFFFAOYSA-N
MW172.19 g/mol
LogP1.21
Rot. Bonds1

About 2-(3-amino-1H-indazol-4-yl)acetonitrile

2-(3-amino-1H-indazol-4-yl)acetonitrile (PubChem CID 118047288) has the molecular formula C9H8N4 and a molecular weight of 172.19 g/mol. Its IUPAC name is 2-(3-amino-1H-indazol-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(3-amino-1H-indazol-4-yl)acetonitrile
PubChem CID118047288
Molecular FormulaC9H8N4
Molecular Weight172.19 g/mol
Exact Mass172.07
IUPAC Name2-(3-amino-1H-indazol-4-yl)acetonitrile
SMILESN#CCc1cccc2[nH]nc(N)c12
InChIInChI=1S/C9H8N4/c10-5-4-6-2-1-3-7-8(6)9(11)13-12-7/h1-3H,4H2,(H3,11,12,13)
InChIKeyKZVPEQKNJDTGQM-UHFFFAOYSA-N
XLogP1.21
TPSA78.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1H-indazol-4-yl)acetonitrile?
The IUPAC name of 2-(3-amino-1H-indazol-4-yl)acetonitrile (CID 118047288) is 2-(3-amino-1H-indazol-4-yl)acetonitrile.
What is the SMILES notation for 2-(3-amino-1H-indazol-4-yl)acetonitrile?
The canonical SMILES for 2-(3-amino-1H-indazol-4-yl)acetonitrile is N#CCc1cccc2[nH]nc(N)c12.
What is the InChIKey of 2-(3-amino-1H-indazol-4-yl)acetonitrile?
The InChIKey is KZVPEQKNJDTGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4/c10-5-4-6-2-1-3-7-8(6)9(11)13-12-7/h1-3H,4H2,(H3,11,12,13).
What are the key properties of 2-(3-amino-1H-indazol-4-yl)acetonitrile?
2-(3-amino-1H-indazol-4-yl)acetonitrile has a molecular weight of 172.19 g/mol, XLogP of 1.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1H-indazol-4-yl)acetonitrile is sourced from PubChem (CID 118047288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).