N-[(2,4-dichlorophenyl)methyl]-1-phenyltetrazol-5-amine

C14H11Cl2N5 — CID 2537679

IUPACN-[(2,4-dichlorophenyl)methyl]-1-phenyltetrazol-5-amine
SMILESClc1ccc(CNc2nnnn2-c2ccccc2)c(Cl)c1
InChIInChI=1S/C14H11Cl2N5/c15-11-7-6-10(13(16)8-11)9-17-14-18-19-20-21(14)12-4-2-1-3-5-12/h1-8H,9H2,(H,17,18,20)
InChIKeySGEHVLXNVNBLRX-UHFFFAOYSA-N
MW320.18 g/mol
LogP3.58
Rot. Bonds4

About N-[(2,4-dichlorophenyl)methyl]-1-phenyltetrazol-5-amine

N-[(2,4-dichlorophenyl)methyl]-1-phenyltetrazol-5-amine (PubChem CID 2537679) has the molecular formula C14H11Cl2N5 and a molecular weight of 320.18 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-1-phenyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-1-phenyltetrazol-5-amine
PubChem CID2537679
Molecular FormulaC14H11Cl2N5
Molecular Weight320.18 g/mol
Exact Mass319.04
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-1-phenyltetrazol-5-amine
SMILESClc1ccc(CNc2nnnn2-c2ccccc2)c(Cl)c1
InChIInChI=1S/C14H11Cl2N5/c15-11-7-6-10(13(16)8-11)9-17-14-18-19-20-21(14)12-4-2-1-3-5-12/h1-8H,9H2,(H,17,18,20)
InChIKeySGEHVLXNVNBLRX-UHFFFAOYSA-N
XLogP3.58
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-1-phenyltetrazol-5-amine?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-1-phenyltetrazol-5-amine (CID 2537679) is N-[(2,4-dichlorophenyl)methyl]-1-phenyltetrazol-5-amine.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-1-phenyltetrazol-5-amine?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-1-phenyltetrazol-5-amine is Clc1ccc(CNc2nnnn2-c2ccccc2)c(Cl)c1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-1-phenyltetrazol-5-amine?
The InChIKey is SGEHVLXNVNBLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N5/c15-11-7-6-10(13(16)8-11)9-17-14-18-19-20-21(14)12-4-2-1-3-5-12/h1-8H,9H2,(H,17,18,20).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-1-phenyltetrazol-5-amine?
N-[(2,4-dichlorophenyl)methyl]-1-phenyltetrazol-5-amine has a molecular weight of 320.18 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-1-phenyltetrazol-5-amine is sourced from PubChem (CID 2537679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).