[5-(3-methylimidazol-4-yl)tetrazolo[1,5-a]quinazolin-7-yl]methanol

C13H11N7O — CID 141023944

IUPAC[5-(3-methylimidazol-4-yl)tetrazolo[1,5-a]quinazolin-7-yl]methanol
SMILESCn1cncc1-c1nc2nnnn2c2ccc(CO)cc12
InChIInChI=1S/C13H11N7O/c1-19-7-14-5-11(19)12-9-4-8(6-21)2-3-10(9)20-13(15-12)16-17-18-20/h2-5,7,21H,6H2,1H3
InChIKeyKVDNGDSBOWUSTA-UHFFFAOYSA-N
MW281.28 g/mol
LogP0.57
Rot. Bonds2

About [5-(3-methylimidazol-4-yl)tetrazolo[1,5-a]quinazolin-7-yl]methanol

[5-(3-methylimidazol-4-yl)tetrazolo[1,5-a]quinazolin-7-yl]methanol (PubChem CID 141023944) has the molecular formula C13H11N7O and a molecular weight of 281.28 g/mol. Its IUPAC name is [5-(3-methylimidazol-4-yl)tetrazolo[1,5-a]quinazolin-7-yl]methanol.

Molecular Properties

Compound Name[5-(3-methylimidazol-4-yl)tetrazolo[1,5-a]quinazolin-7-yl]methanol
PubChem CID141023944
Molecular FormulaC13H11N7O
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name[5-(3-methylimidazol-4-yl)tetrazolo[1,5-a]quinazolin-7-yl]methanol
SMILESCn1cncc1-c1nc2nnnn2c2ccc(CO)cc12
InChIInChI=1S/C13H11N7O/c1-19-7-14-5-11(19)12-9-4-8(6-21)2-3-10(9)20-13(15-12)16-17-18-20/h2-5,7,21H,6H2,1H3
InChIKeyKVDNGDSBOWUSTA-UHFFFAOYSA-N
XLogP0.57
TPSA94.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[5-(3-chlorophenyl)tetrazolo[1,5-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanol
CID 58799295
7-methyl-5-phenyltetrazolo[1,5-a]quinazoline
CID 877898
N-[[4-[hydroxy-(3-methylimidazol-4-yl)-[5-(3-methylphenyl)tetrazolo[1,5-a]quinazolin-7-yl]methyl]phenyl]methyl]-N-methyl-N'-(methylideneamino)methanimidamide
CID 142129172
[5-(3-chlorophenyl)tetrazolo[1,5-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)-[4-[(3-pyrrolidin-1-ylpropylamino)methyl]phenyl]methanol
CID 58799363
tetrazolo[1,5-a]quinolin-7-ylmethanol
CID 115021914
[1-[(3-propylimidazol-4-yl)methyl]indol-5-yl]methanol
CID 102912438
5-(3-chlorophenyl)-7-[(4-iodophenyl)-(4-methyl-1,2,4-triazol-3-yl)methyl]tetrazolo[1,5-a]quinazoline
CID 21082061
ethane;(1-methylindazol-6-yl)methanol
CID 168921165
N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylimidazole-4-carboxamide
CID 103511327
(5-methylpyrido[4,3-b]indol-7-yl)methanol
CID 116986177
[5-(3-methylimidazol-4-yl)furan-2-yl]methanol
CID 126971966
[9-[4-[4-[3-(hydroxymethyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]methanol
CID 58625620

Frequently Asked Questions

What is the IUPAC name of [5-(3-methylimidazol-4-yl)tetrazolo[1,5-a]quinazolin-7-yl]methanol?
The IUPAC name of [5-(3-methylimidazol-4-yl)tetrazolo[1,5-a]quinazolin-7-yl]methanol (CID 141023944) is [5-(3-methylimidazol-4-yl)tetrazolo[1,5-a]quinazolin-7-yl]methanol.
What is the SMILES notation for [5-(3-methylimidazol-4-yl)tetrazolo[1,5-a]quinazolin-7-yl]methanol?
The canonical SMILES for [5-(3-methylimidazol-4-yl)tetrazolo[1,5-a]quinazolin-7-yl]methanol is Cn1cncc1-c1nc2nnnn2c2ccc(CO)cc12.
What is the InChIKey of [5-(3-methylimidazol-4-yl)tetrazolo[1,5-a]quinazolin-7-yl]methanol?
The InChIKey is KVDNGDSBOWUSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N7O/c1-19-7-14-5-11(19)12-9-4-8(6-21)2-3-10(9)20-13(15-12)16-17-18-20/h2-5,7,21H,6H2,1H3.
What are the key properties of [5-(3-methylimidazol-4-yl)tetrazolo[1,5-a]quinazolin-7-yl]methanol?
[5-(3-methylimidazol-4-yl)tetrazolo[1,5-a]quinazolin-7-yl]methanol has a molecular weight of 281.28 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methylimidazol-4-yl)tetrazolo[1,5-a]quinazolin-7-yl]methanol is sourced from PubChem (CID 141023944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).