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

C15H14ClN5O — CID 4727681

IUPACN-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2H-tetrazol-5-amine
SMILESClc1ccc(OCc2ccccc2)c(CNc2nn[nH]n2)c1
InChIInChI=1S/C15H14ClN5O/c16-13-6-7-14(22-10-11-4-2-1-3-5-11)12(8-13)9-17-15-18-20-21-19-15/h1-8H,9-10H2,(H2,17,18,19,20,21)
InChIKeyNZIVJZKEVGDCQB-UHFFFAOYSA-N
MW315.76 g/mol
LogP3.04
Rot. Bonds6

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

N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2H-tetrazol-5-amine (PubChem CID 4727681) has the molecular formula C15H14ClN5O and a molecular weight of 315.76 g/mol. Its IUPAC name is N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2H-tetrazol-5-amine
PubChem CID4727681
Molecular FormulaC15H14ClN5O
Molecular Weight315.76 g/mol
Exact Mass315.09
IUPAC NameN-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2H-tetrazol-5-amine
SMILESClc1ccc(OCc2ccccc2)c(CNc2nn[nH]n2)c1
InChIInChI=1S/C15H14ClN5O/c16-13-6-7-14(22-10-11-4-2-1-3-5-11)12(8-13)9-17-15-18-20-21-19-15/h1-8H,9-10H2,(H2,17,18,19,20,21)
InChIKeyNZIVJZKEVGDCQB-UHFFFAOYSA-N
XLogP3.04
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 53.04
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-phenylmethoxyphenyl)methyl]-2H-tetrazol-5-amine?
The IUPAC name of N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2H-tetrazol-5-amine (CID 4727681) is N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2H-tetrazol-5-amine.
What is the SMILES notation for N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2H-tetrazol-5-amine?
The canonical SMILES for N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2H-tetrazol-5-amine is Clc1ccc(OCc2ccccc2)c(CNc2nn[nH]n2)c1.
What is the InChIKey of N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2H-tetrazol-5-amine?
The InChIKey is NZIVJZKEVGDCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O/c16-13-6-7-14(22-10-11-4-2-1-3-5-11)12(8-13)9-17-15-18-20-21-19-15/h1-8H,9-10H2,(H2,17,18,19,20,21).
What are the key properties of N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2H-tetrazol-5-amine?
N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2H-tetrazol-5-amine has a molecular weight of 315.76 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2H-tetrazol-5-amine is sourced from PubChem (CID 4727681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).