N-[(2,3-dichlorophenyl)methyl]-2H-tetrazol-5-amine

C8H7Cl2N5 — CID 4725567

IUPACN-[(2,3-dichlorophenyl)methyl]-2H-tetrazol-5-amine
SMILESClc1cccc(CNc2nn[nH]n2)c1Cl
InChIInChI=1S/C8H7Cl2N5/c9-6-3-1-2-5(7(6)10)4-11-8-12-14-15-13-8/h1-3H,4H2,(H2,11,12,13,14,15)
InChIKeyQTYGOGDNFJVRFE-UHFFFAOYSA-N
MW244.09 g/mol
LogP2.12
Rot. Bonds3

About N-[(2,3-dichlorophenyl)methyl]-2H-tetrazol-5-amine

N-[(2,3-dichlorophenyl)methyl]-2H-tetrazol-5-amine (PubChem CID 4725567) has the molecular formula C8H7Cl2N5 and a molecular weight of 244.09 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methyl]-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methyl]-2H-tetrazol-5-amine
PubChem CID4725567
Molecular FormulaC8H7Cl2N5
Molecular Weight244.09 g/mol
Exact Mass243.01
IUPAC NameN-[(2,3-dichlorophenyl)methyl]-2H-tetrazol-5-amine
SMILESClc1cccc(CNc2nn[nH]n2)c1Cl
InChIInChI=1S/C8H7Cl2N5/c9-6-3-1-2-5(7(6)10)4-11-8-12-14-15-13-8/h1-3H,4H2,(H2,11,12,13,14,15)
InChIKeyQTYGOGDNFJVRFE-UHFFFAOYSA-N
XLogP2.12
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dichlorophenyl)-2H-tetrazol-5-amine
CID 69263868
N-[(2-methylphenyl)methyl]-2H-tetrazol-5-amine
CID 4727778
6-chloro-2-N-[(2,3-dichlorophenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 166163825
N-[(5-chloroquinolin-8-yl)methyl]-2H-tetrazol-5-amine
CID 91661943
N-[(2-methyl-3-pyridinyl)methyl]-2H-tetrazol-5-amine
CID 131070932
N-[[2-(trifluoromethyl)phenyl]methyl]-2H-tetrazol-5-amine
CID 4726734
2-(chloromethyl)-N-[(2,3-dichlorophenyl)methyl]aniline
CID 107309995
N-[(2-chloro-4,5-diethoxyphenyl)methyl]-2H-tetrazol-5-amine
CID 66542076
N-[(2,3-dichlorophenyl)methyl]-2-methylpropan-2-amine;hydrochloride
CID 17293607
N-[(2,3-dichlorophenyl)methyl]-4-methylaniline;hydrochloride
CID 47023748
N-[(2,4-dimethylphenyl)methyl]-2H-tetrazol-5-amine
CID 139628212
[4-[(2,3-dichlorophenyl)methylamino]-2-methylquinolin-8-yl]methanol
CID 122186007

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methyl]-2H-tetrazol-5-amine?
The IUPAC name of N-[(2,3-dichlorophenyl)methyl]-2H-tetrazol-5-amine (CID 4725567) is N-[(2,3-dichlorophenyl)methyl]-2H-tetrazol-5-amine.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methyl]-2H-tetrazol-5-amine?
The canonical SMILES for N-[(2,3-dichlorophenyl)methyl]-2H-tetrazol-5-amine is Clc1cccc(CNc2nn[nH]n2)c1Cl.
What is the InChIKey of N-[(2,3-dichlorophenyl)methyl]-2H-tetrazol-5-amine?
The InChIKey is QTYGOGDNFJVRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2N5/c9-6-3-1-2-5(7(6)10)4-11-8-12-14-15-13-8/h1-3H,4H2,(H2,11,12,13,14,15).
What are the key properties of N-[(2,3-dichlorophenyl)methyl]-2H-tetrazol-5-amine?
N-[(2,3-dichlorophenyl)methyl]-2H-tetrazol-5-amine has a molecular weight of 244.09 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)methyl]-2H-tetrazol-5-amine is sourced from PubChem (CID 4725567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).