5-amino-7-chlorotriazolo[1,5-a]quinazoline-3-carbonitrile

C10H5ClN6 — CID 134113553

IUPAC5-amino-7-chlorotriazolo[1,5-a]quinazoline-3-carbonitrile
SMILESN#Cc1nnn2c1nc(N)c1cc(Cl)ccc12
InChIInChI=1S/C10H5ClN6/c11-5-1-2-8-6(3-5)9(13)14-10-7(4-12)15-16-17(8)10/h1-3H,(H2,13,14)
InChIKeyWOFFYJYYBGLHTR-UHFFFAOYSA-N
MW244.65 g/mol
LogP1.38
Rot. Bonds

About 5-amino-7-chlorotriazolo[1,5-a]quinazoline-3-carbonitrile

5-amino-7-chlorotriazolo[1,5-a]quinazoline-3-carbonitrile (PubChem CID 134113553) has the molecular formula C10H5ClN6 and a molecular weight of 244.65 g/mol. Its IUPAC name is 5-amino-7-chlorotriazolo[1,5-a]quinazoline-3-carbonitrile.

Molecular Properties

Compound Name5-amino-7-chlorotriazolo[1,5-a]quinazoline-3-carbonitrile
PubChem CID134113553
Molecular FormulaC10H5ClN6
Molecular Weight244.65 g/mol
Exact Mass244.03
IUPAC Name5-amino-7-chlorotriazolo[1,5-a]quinazoline-3-carbonitrile
SMILESN#Cc1nnn2c1nc(N)c1cc(Cl)ccc12
InChIInChI=1S/C10H5ClN6/c11-5-1-2-8-6(3-5)9(13)14-10-7(4-12)15-16-17(8)10/h1-3H,(H2,13,14)
InChIKeyWOFFYJYYBGLHTR-UHFFFAOYSA-N
XLogP1.38
TPSA92.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.65
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 82196284
3-amino-6-chloro-9-oxoindeno[1,2-b]pyrazine-2-carbonitrile
CID 70987443
3-phenyltriazolo[1,5-a]quinazolin-5-amine
CID 5304078
4-amino-6-chloroquinoline-2-carbonitrile
CID 84620141
7-chloro-5-[2-(4-methylphenyl)-2-oxoethyl]tetrazolo[1,5-a]quinoline-4-carbonitrile
CID 102054862
5-tert-butyl-1-(4-chloro-2-methylphenyl)triazole-4-carbonitrile
CID 82195201
2-(6-aminoindazol-1-yl)-5-chlorobenzonitrile
CID 62494224
4-[7-chloro-3-(3-methylphenyl)triazolo[1,5-a]quinazolin-5-yl]thiomorpholine
CID 20874546
7-chloro-1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 13385768
1-(4-chloro-2-methylphenyl)-5-phenyltriazole-4-carbonitrile
CID 82195223
1-[(1-butyltetrazol-5-yl)methyl]-5-chloroindazole-3-carbonitrile
CID 56782023
1-(5-chloro-2-methylphenyl)-5-propan-2-yltriazole-4-carbonitrile
CID 82196296

Frequently Asked Questions

What is the IUPAC name of 5-amino-7-chlorotriazolo[1,5-a]quinazoline-3-carbonitrile?
The IUPAC name of 5-amino-7-chlorotriazolo[1,5-a]quinazoline-3-carbonitrile (CID 134113553) is 5-amino-7-chlorotriazolo[1,5-a]quinazoline-3-carbonitrile.
What is the SMILES notation for 5-amino-7-chlorotriazolo[1,5-a]quinazoline-3-carbonitrile?
The canonical SMILES for 5-amino-7-chlorotriazolo[1,5-a]quinazoline-3-carbonitrile is N#Cc1nnn2c1nc(N)c1cc(Cl)ccc12.
What is the InChIKey of 5-amino-7-chlorotriazolo[1,5-a]quinazoline-3-carbonitrile?
The InChIKey is WOFFYJYYBGLHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClN6/c11-5-1-2-8-6(3-5)9(13)14-10-7(4-12)15-16-17(8)10/h1-3H,(H2,13,14).
What are the key properties of 5-amino-7-chlorotriazolo[1,5-a]quinazoline-3-carbonitrile?
5-amino-7-chlorotriazolo[1,5-a]quinazoline-3-carbonitrile has a molecular weight of 244.65 g/mol, XLogP of 1.38, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-7-chlorotriazolo[1,5-a]quinazoline-3-carbonitrile is sourced from PubChem (CID 134113553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).