N-[(5-chloroquinolin-8-yl)methyl]-2H-tetrazol-5-amine

C11H9ClN6 — CID 91661943

IUPACN-[(5-chloroquinolin-8-yl)methyl]-2H-tetrazol-5-amine
SMILESClc1ccc(CNc2nn[nH]n2)c2ncccc12
InChIInChI=1S/C11H9ClN6/c12-9-4-3-7(6-14-11-15-17-18-16-11)10-8(9)2-1-5-13-10/h1-5H,6H2,(H2,14,15,16,17,18)
InChIKeyZGBFUYLJHDNTSP-UHFFFAOYSA-N
MW260.69 g/mol
LogP2.01
Rot. Bonds3

About N-[(5-chloroquinolin-8-yl)methyl]-2H-tetrazol-5-amine

N-[(5-chloroquinolin-8-yl)methyl]-2H-tetrazol-5-amine (PubChem CID 91661943) has the molecular formula C11H9ClN6 and a molecular weight of 260.69 g/mol. Its IUPAC name is N-[(5-chloroquinolin-8-yl)methyl]-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-[(5-chloroquinolin-8-yl)methyl]-2H-tetrazol-5-amine
PubChem CID91661943
Molecular FormulaC11H9ClN6
Molecular Weight260.69 g/mol
Exact Mass260.06
IUPAC NameN-[(5-chloroquinolin-8-yl)methyl]-2H-tetrazol-5-amine
SMILESClc1ccc(CNc2nn[nH]n2)c2ncccc12
InChIInChI=1S/C11H9ClN6/c12-9-4-3-7(6-14-11-15-17-18-16-11)10-8(9)2-1-5-13-10/h1-5H,6H2,(H2,14,15,16,17,18)
InChIKeyZGBFUYLJHDNTSP-UHFFFAOYSA-N
XLogP2.01
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.69
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(5-chloroquinolin-8-yl)methylhydrazine
CID 112617928
4-bromo-2-chloro-N-[(5-chloroquinolin-8-yl)methyl]aniline
CID 115959103
N-[(2-methyl-3-pyridinyl)methyl]-2H-tetrazol-5-amine
CID 131070932
1-(5-chloroquinolin-8-yl)-N-ethoxymethanamine
CID 112686388
1-(5-chloroquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 115697268
N-[(5-chloroquinolin-8-yl)methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103909212
N-[(2,3-dichlorophenyl)methyl]-2H-tetrazol-5-amine
CID 4725567
N-[(5-chloroquinolin-8-yl)methyl]-2-fluoro-4-methylaniline
CID 115959079
3-[(5-chloroquinolin-8-yl)methylamino]-2,2-dimethylpropanamide
CID 103765788
1-(4-chlorophenyl)-3-[(5-chloroquinolin-8-yl)methylamino]propan-2-ol
CID 167757522
5-[(5-chloroquinolin-8-yl)methylamino]-2-methylphenol
CID 107699715
4-bromo-N-[(5-chloroquinolin-8-yl)methyl]-3-methylaniline
CID 115958965

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloroquinolin-8-yl)methyl]-2H-tetrazol-5-amine?
The IUPAC name of N-[(5-chloroquinolin-8-yl)methyl]-2H-tetrazol-5-amine (CID 91661943) is N-[(5-chloroquinolin-8-yl)methyl]-2H-tetrazol-5-amine.
What is the SMILES notation for N-[(5-chloroquinolin-8-yl)methyl]-2H-tetrazol-5-amine?
The canonical SMILES for N-[(5-chloroquinolin-8-yl)methyl]-2H-tetrazol-5-amine is Clc1ccc(CNc2nn[nH]n2)c2ncccc12.
What is the InChIKey of N-[(5-chloroquinolin-8-yl)methyl]-2H-tetrazol-5-amine?
The InChIKey is ZGBFUYLJHDNTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN6/c12-9-4-3-7(6-14-11-15-17-18-16-11)10-8(9)2-1-5-13-10/h1-5H,6H2,(H2,14,15,16,17,18).
What are the key properties of N-[(5-chloroquinolin-8-yl)methyl]-2H-tetrazol-5-amine?
N-[(5-chloroquinolin-8-yl)methyl]-2H-tetrazol-5-amine has a molecular weight of 260.69 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloroquinolin-8-yl)methyl]-2H-tetrazol-5-amine is sourced from PubChem (CID 91661943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).