N-[(4-chlorophenyl)methyl]-2-propyltetrazol-5-amine

C11H14ClN5 — CID 18778310

IUPACN-[(4-chlorophenyl)methyl]-2-propyltetrazol-5-amine
SMILESCCCn1nnc(NCc2ccc(Cl)cc2)n1
InChIInChI=1S/C11H14ClN5/c1-2-7-17-15-11(14-16-17)13-8-9-3-5-10(12)6-4-9/h3-6H,2,7-8H2,1H3,(H,13,15)
InChIKeySXIWQVAPXJSUPL-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.35
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-2-propyltetrazol-5-amine

N-[(4-chlorophenyl)methyl]-2-propyltetrazol-5-amine (PubChem CID 18778310) has the molecular formula C11H14ClN5 and a molecular weight of 251.72 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-propyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-propyltetrazol-5-amine
PubChem CID18778310
Molecular FormulaC11H14ClN5
Molecular Weight251.72 g/mol
Exact Mass251.09
IUPAC NameN-[(4-chlorophenyl)methyl]-2-propyltetrazol-5-amine
SMILESCCCn1nnc(NCc2ccc(Cl)cc2)n1
InChIInChI=1S/C11H14ClN5/c1-2-7-17-15-11(14-16-17)13-8-9-3-5-10(12)6-4-9/h3-6H,2,7-8H2,1H3,(H,13,15)
InChIKeySXIWQVAPXJSUPL-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-[(4-chlorophenyl)methyl]-2-propyltetrazol-5-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-propyltetrazol-5-amine (CID 18778310) is N-[(4-chlorophenyl)methyl]-2-propyltetrazol-5-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-propyltetrazol-5-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-propyltetrazol-5-amine is CCCn1nnc(NCc2ccc(Cl)cc2)n1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-propyltetrazol-5-amine?
The InChIKey is SXIWQVAPXJSUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5/c1-2-7-17-15-11(14-16-17)13-8-9-3-5-10(12)6-4-9/h3-6H,2,7-8H2,1H3,(H,13,15).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-propyltetrazol-5-amine?
N-[(4-chlorophenyl)methyl]-2-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-[(4-chlorophenyl)methyl]-2-propyltetrazol-5-amine is sourced from PubChem (CID 18778310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).