N-[(5-chloro-2-methoxyphenyl)methyl]-2H-tetrazol-5-amine

C9H10ClN5O — CID 6457276

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-2H-tetrazol-5-amine
SMILESCOc1ccc(Cl)cc1CNc1nn[nH]n1
InChIInChI=1S/C9H10ClN5O/c1-16-8-3-2-7(10)4-6(8)5-11-9-12-14-15-13-9/h2-4H,5H2,1H3,(H2,11,12,13,14,15)
InChIKeyHDDGCHIPYQMXGP-UHFFFAOYSA-N
MW239.67 g/mol
LogP1.47
Rot. Bonds4

About N-[(5-chloro-2-methoxyphenyl)methyl]-2H-tetrazol-5-amine

N-[(5-chloro-2-methoxyphenyl)methyl]-2H-tetrazol-5-amine (PubChem CID 6457276) has the molecular formula C9H10ClN5O and a molecular weight of 239.67 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-2H-tetrazol-5-amine
PubChem CID6457276
Molecular FormulaC9H10ClN5O
Molecular Weight239.67 g/mol
Exact Mass239.06
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-2H-tetrazol-5-amine
SMILESCOc1ccc(Cl)cc1CNc1nn[nH]n1
InChIInChI=1S/C9H10ClN5O/c1-16-8-3-2-7(10)4-6(8)5-11-9-12-14-15-13-9/h2-4H,5H2,1H3,(H2,11,12,13,14,15)
InChIKeyHDDGCHIPYQMXGP-UHFFFAOYSA-N
XLogP1.47
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.67
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-2H-tetrazol-5-amine?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-2H-tetrazol-5-amine (CID 6457276) is N-[(5-chloro-2-methoxyphenyl)methyl]-2H-tetrazol-5-amine.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-2H-tetrazol-5-amine?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-2H-tetrazol-5-amine is COc1ccc(Cl)cc1CNc1nn[nH]n1.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-2H-tetrazol-5-amine?
The InChIKey is HDDGCHIPYQMXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5O/c1-16-8-3-2-7(10)4-6(8)5-11-9-12-14-15-13-9/h2-4H,5H2,1H3,(H2,11,12,13,14,15).
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-2H-tetrazol-5-amine?
N-[(5-chloro-2-methoxyphenyl)methyl]-2H-tetrazol-5-amine has a molecular weight of 239.67 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-2H-tetrazol-5-amine is sourced from PubChem (CID 6457276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).