N-[(2-chlorophenyl)methyl]-1-methyltetrazol-5-amine

C9H10ClN5 — CID 4725595

IUPACN-[(2-chlorophenyl)methyl]-1-methyltetrazol-5-amine
SMILESCn1nnnc1NCc1ccccc1Cl
InChIInChI=1S/C9H10ClN5/c1-15-9(12-13-14-15)11-6-7-4-2-3-5-8(7)10/h2-5H,6H2,1H3,(H,11,12,14)
InChIKeyOEKBGORZAJYURH-UHFFFAOYSA-N
MW223.67 g/mol
LogP1.48
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-1-methyltetrazol-5-amine

N-[(2-chlorophenyl)methyl]-1-methyltetrazol-5-amine (PubChem CID 4725595) has the molecular formula C9H10ClN5 and a molecular weight of 223.67 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-methyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-methyltetrazol-5-amine
PubChem CID4725595
Molecular FormulaC9H10ClN5
Molecular Weight223.67 g/mol
Exact Mass223.06
IUPAC NameN-[(2-chlorophenyl)methyl]-1-methyltetrazol-5-amine
SMILESCn1nnnc1NCc1ccccc1Cl
InChIInChI=1S/C9H10ClN5/c1-15-9(12-13-14-15)11-6-7-4-2-3-5-8(7)10/h2-5H,6H2,1H3,(H,11,12,14)
InChIKeyOEKBGORZAJYURH-UHFFFAOYSA-N
XLogP1.48
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.67
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[[(1-methyltetrazol-5-yl)amino]methyl]phenyl]acetic acid
CID 81318049
N-[(2-methoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4727584
N-[(2-chloro-6-fluorophenyl)methyl]-1-methyltetrazol-5-amine
CID 1251687
N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-methyltetrazol-5-amine
CID 4727588
N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-methyltetrazol-5-amine
CID 66543863
N-[[2-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-methyltetrazol-5-amine
CID 66543193
N-[2-(2-fluorophenyl)ethyl]-1-methyltetrazol-5-amine
CID 63151902
5-(1-aminoethyl)-N-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 110456355
N-[(2-chlorophenyl)methyl]-1,5-dimethylpyrazol-4-amine
CID 115899733
1-methyl-N-(pyridin-3-ylmethyl)tetrazol-5-amine
CID 18801252
1-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]tetrazol-5-amine
CID 63152369
N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4727571

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-methyltetrazol-5-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-methyltetrazol-5-amine (CID 4725595) is N-[(2-chlorophenyl)methyl]-1-methyltetrazol-5-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-methyltetrazol-5-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-methyltetrazol-5-amine is Cn1nnnc1NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-methyltetrazol-5-amine?
The InChIKey is OEKBGORZAJYURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5/c1-15-9(12-13-14-15)11-6-7-4-2-3-5-8(7)10/h2-5H,6H2,1H3,(H,11,12,14).
What are the key properties of N-[(2-chlorophenyl)methyl]-1-methyltetrazol-5-amine?
N-[(2-chlorophenyl)methyl]-1-methyltetrazol-5-amine has a molecular weight of 223.67 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-methyltetrazol-5-amine is sourced from PubChem (CID 4725595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).