N'-(1-phenyltetrazol-5-yl)propane-1,3-diamine

C10H14N6 — CID 24707793

IUPACN'-(1-phenyltetrazol-5-yl)propane-1,3-diamine
SMILESNCCCNc1nnnn1-c1ccccc1
InChIInChI=1S/C10H14N6/c11-7-4-8-12-10-13-14-15-16(10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,11H2,(H,12,13,15)
InChIKeyBZNAHGJKRHUWGF-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.42
Rot. Bonds5

About N'-(1-phenyltetrazol-5-yl)propane-1,3-diamine

N'-(1-phenyltetrazol-5-yl)propane-1,3-diamine (PubChem CID 24707793) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is N'-(1-phenyltetrazol-5-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(1-phenyltetrazol-5-yl)propane-1,3-diamine
PubChem CID24707793
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC NameN'-(1-phenyltetrazol-5-yl)propane-1,3-diamine
SMILESNCCCNc1nnnn1-c1ccccc1
InChIInChI=1S/C10H14N6/c11-7-4-8-12-10-13-14-15-16(10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,11H2,(H,12,13,15)
InChIKeyBZNAHGJKRHUWGF-UHFFFAOYSA-N
XLogP0.42
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-methylpropoxy)propyl]-1-phenyltetrazol-5-amine
CID 103604297
6-[2-[(1-phenyltetrazol-5-yl)amino]ethylamino]pyrazine-2-carboxamide
CID 133412546
N-[2-(2-methylphenyl)ethyl]-1-phenyltetrazol-5-amine
CID 9250575
N-(2-methylsulfonylphenyl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine
CID 133412491
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-phenyltetrazol-5-amine
CID 133294032
methyl 3-[(1-phenyltetrazol-5-yl)amino]propanoate
CID 60631997
6-[2-[(1-phenyltetrazol-5-yl)amino]ethylamino]pyridine-2-carbonitrile
CID 133412520
4-methoxy-1-N-(1-phenyltetrazol-5-yl)butane-1,3-diamine
CID 106244044
N'-(1-phenyltetrazol-5-yl)-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 71852756
N-[(3-aminocyclobutyl)methyl]-1-phenyltetrazol-5-amine
CID 66007158
N-(1-phenyltetrazol-5-yl)-N'-(3-phenyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 133412509
N-(6-ethyl-2-methylpyrimidin-4-yl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine
CID 133472424

Frequently Asked Questions

What is the IUPAC name of N'-(1-phenyltetrazol-5-yl)propane-1,3-diamine?
The IUPAC name of N'-(1-phenyltetrazol-5-yl)propane-1,3-diamine (CID 24707793) is N'-(1-phenyltetrazol-5-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(1-phenyltetrazol-5-yl)propane-1,3-diamine?
The canonical SMILES for N'-(1-phenyltetrazol-5-yl)propane-1,3-diamine is NCCCNc1nnnn1-c1ccccc1.
What is the InChIKey of N'-(1-phenyltetrazol-5-yl)propane-1,3-diamine?
The InChIKey is BZNAHGJKRHUWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c11-7-4-8-12-10-13-14-15-16(10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,11H2,(H,12,13,15).
What are the key properties of N'-(1-phenyltetrazol-5-yl)propane-1,3-diamine?
N'-(1-phenyltetrazol-5-yl)propane-1,3-diamine has a molecular weight of 218.26 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-phenyltetrazol-5-yl)propane-1,3-diamine is sourced from PubChem (CID 24707793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).