azane;quinazolin-4-amine

C8H10N4 — CID 172800040

IUPACazane;quinazolin-4-amine
SMILESN.Nc1ncnc2ccccc12
InChIInChI=1S/C8H7N3.H3N/c9-8-6-3-1-2-4-7(6)10-5-11-8;/h1-5H,(H2,9,10,11);1H3
InChIKeyKQRJTYVCQUVTIP-UHFFFAOYSA-N
MW162.20 g/mol
LogP1.37
Rot. Bonds

About azane;quinazolin-4-amine

azane;quinazolin-4-amine (PubChem CID 172800040) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is azane;quinazolin-4-amine.

Molecular Properties

Compound Nameazane;quinazolin-4-amine
PubChem CID172800040
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Nameazane;quinazolin-4-amine
SMILESN.Nc1ncnc2ccccc12
InChIInChI=1S/C8H7N3.H3N/c9-8-6-3-1-2-4-7(6)10-5-11-8;/h1-5H,(H2,9,10,11);1H3
InChIKeyKQRJTYVCQUVTIP-UHFFFAOYSA-N
XLogP1.37
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

hydron;quinazolin-4-amine
CID 174478214
quinazoline-4-carbonitrile
CID 593211
benzene;4-methylquinazoline
CID 174274782
1-quinazolin-4-yl-1,2,4-triazol-3-amine
CID 61176972
fluoromethane;4-methylquinazoline
CID 91079443
2-N-quinazolin-4-ylbenzene-1,2-diamine
CID 21190751
6-tert-butylquinazolin-4-amine
CID 58008725
acetylene;pyrido[3,2-d]pyrimidin-4-amine
CID 144514772
ethane;methanol;4-methylquinazoline
CID 91108480
quinazolin-4-yl hypofluorite
CID 143671515
2-quinazolin-4-ylsulfanylpyrimidin-5-amine
CID 61145477
2-chloro-6-quinazolin-4-ylaniline
CID 175277016

Frequently Asked Questions

What is the IUPAC name of azane;quinazolin-4-amine?
The IUPAC name of azane;quinazolin-4-amine (CID 172800040) is azane;quinazolin-4-amine.
What is the SMILES notation for azane;quinazolin-4-amine?
The canonical SMILES for azane;quinazolin-4-amine is N.Nc1ncnc2ccccc12.
What is the InChIKey of azane;quinazolin-4-amine?
The InChIKey is KQRJTYVCQUVTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3.H3N/c9-8-6-3-1-2-4-7(6)10-5-11-8;/h1-5H,(H2,9,10,11);1H3.
What are the key properties of azane;quinazolin-4-amine?
azane;quinazolin-4-amine has a molecular weight of 162.20 g/mol, XLogP of 1.37, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;quinazolin-4-amine is sourced from PubChem (CID 172800040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).