1-ethyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]tetrazol-5-amine

C14H20N6 — CID 834537

IUPAC1-ethyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]tetrazol-5-amine
SMILESCCn1nnnc1NCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C14H20N6/c1-2-20-14(16-17-18-20)15-11-12-5-7-13(8-6-12)19-9-3-4-10-19/h5-8H,2-4,9-11H2,1H3,(H,15,16,18)
InChIKeyMZLMUWWBEKIWRY-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.91
Rot. Bonds5

About 1-ethyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]tetrazol-5-amine

1-ethyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]tetrazol-5-amine (PubChem CID 834537) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 1-ethyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]tetrazol-5-amine.

Molecular Properties

Compound Name1-ethyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]tetrazol-5-amine
PubChem CID834537
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name1-ethyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]tetrazol-5-amine
SMILESCCn1nnnc1NCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C14H20N6/c1-2-20-14(16-17-18-20)15-11-12-5-7-13(8-6-12)19-9-3-4-10-19/h5-8H,2-4,9-11H2,1H3,(H,15,16,18)
InChIKeyMZLMUWWBEKIWRY-UHFFFAOYSA-N
XLogP1.91
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(diethylamino)benzyl]-1-propyl-1H-tetrazol-5-amine
CID 834702
N,N-dimethyl-4-[5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]aniline
CID 4265201
1-propyl-N-[4-(pyrrolidin-1-yl)benzyl]-1H-tetrazol-5-amine
CID 834708
1-butyl-N-[4-(diethylamino)benzyl]-1H-tetrazol-5-amine
CID 1817984
1-phenyl-N-(2-phenylethyl)tetrazol-5-amine
CID 2499895
N-[[4-(diethylamino)phenyl]methyl]-1-methyltetrazol-5-amine
CID 4725596
(4-Dimethylamino-benzyl)-(1-propyl-1H-tetrazol-5-yl)-amine
CID 4727225
1-Propyl-5-(phenylamino)-1H-tetrazole
CID 555572
N-[4-(dimethylamino)benzyl]-1H-1,2,4-triazol-5-amine
CID 913757
1-(4-Methylphenyl)-1h-tetrazol-5-amine
CID 283415
1-Benzyl-N-phenyl-1H-tetrazol-5-amine
CID 333962
Benzyl-(1-phenyl-1H-tetrazol-5-yl)-amine
CID 1085717

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]tetrazol-5-amine?
The IUPAC name of 1-ethyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]tetrazol-5-amine (CID 834537) is 1-ethyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]tetrazol-5-amine.
What is the SMILES notation for 1-ethyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]tetrazol-5-amine?
The canonical SMILES for 1-ethyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]tetrazol-5-amine is CCn1nnnc1NCc1ccc(N2CCCC2)cc1.
What is the InChIKey of 1-ethyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]tetrazol-5-amine?
The InChIKey is MZLMUWWBEKIWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-2-20-14(16-17-18-20)15-11-12-5-7-13(8-6-12)19-9-3-4-10-19/h5-8H,2-4,9-11H2,1H3,(H,15,16,18).
What are the key properties of 1-ethyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]tetrazol-5-amine?
1-ethyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]tetrazol-5-amine has a molecular weight of 272.36 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]tetrazol-5-amine is sourced from PubChem (CID 834537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).