7-aminoquinazoline-5-carbonitrile

C9H6N4 — CID 177323436

IUPAC7-aminoquinazoline-5-carbonitrile
SMILESN#Cc1cc(N)cc2ncncc12
InChIInChI=1S/C9H6N4/c10-3-6-1-7(11)2-9-8(6)4-12-5-13-9/h1-2,4-5H,11H2
InChIKeyZAAANJWLHAAQSG-UHFFFAOYSA-N
MW170.17 g/mol
LogP1.08
Rot. Bonds

About 7-aminoquinazoline-5-carbonitrile

7-aminoquinazoline-5-carbonitrile (PubChem CID 177323436) has the molecular formula C9H6N4 and a molecular weight of 170.17 g/mol. Its IUPAC name is 7-aminoquinazoline-5-carbonitrile.

Molecular Properties

Compound Name7-aminoquinazoline-5-carbonitrile
PubChem CID177323436
Molecular FormulaC9H6N4
Molecular Weight170.17 g/mol
Exact Mass170.06
IUPAC Name7-aminoquinazoline-5-carbonitrile
SMILESN#Cc1cc(N)cc2ncncc12
InChIInChI=1S/C9H6N4/c10-3-6-1-7(11)2-9-8(6)4-12-5-13-9/h1-2,4-5H,11H2
InChIKeyZAAANJWLHAAQSG-UHFFFAOYSA-N
XLogP1.08
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

acetylene;4-aminopyrimidine-5-carbonitrile
CID 142135145
7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile;hydrochloride
CID 174939516
5,6,7-trifluoroquinazoline
CID 91514521
6-amino-4-(methylamino)quinazoline-8-carbonitrile
CID 146589364
5-amino-3-chloro-2-methoxybenzonitrile
CID 131296171
methanethiol;quinazolin-7-amine
CID 156844903
chloromethane;4-chloropyrimidine-5-carbonitrile;ethane
CID 160597687
5-methylpyrrolo[3,2-d]pyrimidine-6-carbonitrile
CID 150858675
5-amino-2-(pyrimidin-2-ylmethoxy)benzonitrile
CID 55108435
6-amino-7-ethoxy-4-methylquinoline-3-carbonitrile
CID 89103315
2-[(5-aminopyrimidin-4-yl)amino]-4-chlorobenzonitrile
CID 79918602
5-amino-2-(propan-2-ylamino)pyridine-3-carbonitrile
CID 60922622

Frequently Asked Questions

What is the IUPAC name of 7-aminoquinazoline-5-carbonitrile?
The IUPAC name of 7-aminoquinazoline-5-carbonitrile (CID 177323436) is 7-aminoquinazoline-5-carbonitrile.
What is the SMILES notation for 7-aminoquinazoline-5-carbonitrile?
The canonical SMILES for 7-aminoquinazoline-5-carbonitrile is N#Cc1cc(N)cc2ncncc12.
What is the InChIKey of 7-aminoquinazoline-5-carbonitrile?
The InChIKey is ZAAANJWLHAAQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4/c10-3-6-1-7(11)2-9-8(6)4-12-5-13-9/h1-2,4-5H,11H2.
What are the key properties of 7-aminoquinazoline-5-carbonitrile?
7-aminoquinazoline-5-carbonitrile has a molecular weight of 170.17 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-aminoquinazoline-5-carbonitrile is sourced from PubChem (CID 177323436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).