N-[(3-chlorophenyl)methyl]-1-propyltetrazol-5-amine

C11H14ClN5 — CID 4727782

IUPACN-[(3-chlorophenyl)methyl]-1-propyltetrazol-5-amine
SMILESCCCn1nnnc1NCc1cccc(Cl)c1
InChIInChI=1S/C11H14ClN5/c1-2-6-17-11(14-15-16-17)13-8-9-4-3-5-10(12)7-9/h3-5,7H,2,6,8H2,1H3,(H,13,14,16)
InChIKeyPQWXBEVJLODOAS-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.35
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-1-propyltetrazol-5-amine

N-[(3-chlorophenyl)methyl]-1-propyltetrazol-5-amine (PubChem CID 4727782) has the molecular formula C11H14ClN5 and a molecular weight of 251.72 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-propyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1-propyltetrazol-5-amine
PubChem CID4727782
Molecular FormulaC11H14ClN5
Molecular Weight251.72 g/mol
Exact Mass251.09
IUPAC NameN-[(3-chlorophenyl)methyl]-1-propyltetrazol-5-amine
SMILESCCCn1nnnc1NCc1cccc(Cl)c1
InChIInChI=1S/C11H14ClN5/c1-2-6-17-11(14-15-16-17)13-8-9-4-3-5-10(12)7-9/h3-5,7H,2,6,8H2,1H3,(H,13,14,16)
InChIKeyPQWXBEVJLODOAS-UHFFFAOYSA-N
XLogP2.35
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1-propyltetrazol-5-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1-propyltetrazol-5-amine (CID 4727782) is N-[(3-chlorophenyl)methyl]-1-propyltetrazol-5-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1-propyltetrazol-5-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-propyltetrazol-5-amine is CCCn1nnnc1NCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1-propyltetrazol-5-amine?
The InChIKey is PQWXBEVJLODOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5/c1-2-6-17-11(14-15-16-17)13-8-9-4-3-5-10(12)7-9/h3-5,7H,2,6,8H2,1H3,(H,13,14,16).
What are the key properties of N-[(3-chlorophenyl)methyl]-1-propyltetrazol-5-amine?
N-[(3-chlorophenyl)methyl]-1-propyltetrazol-5-amine has a molecular weight of 251.72 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-1-propyltetrazol-5-amine is sourced from PubChem (CID 4727782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).