N-propyl-6-[3-(tetrazol-1-yl)phenyl]pyridazin-3-amine

C14H15N7 — CID 62203211

IUPACN-propyl-6-[3-(tetrazol-1-yl)phenyl]pyridazin-3-amine
SMILESCCCNc1ccc(-c2cccc(-n3cnnn3)c2)nn1
InChIInChI=1S/C14H15N7/c1-2-8-15-14-7-6-13(17-18-14)11-4-3-5-12(9-11)21-10-16-19-20-21/h3-7,9-10H,2,8H2,1H3,(H,15,18)
InChIKeyCLRDQABWIBHCGL-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.94
Rot. Bonds5

About N-propyl-6-[3-(tetrazol-1-yl)phenyl]pyridazin-3-amine

N-propyl-6-[3-(tetrazol-1-yl)phenyl]pyridazin-3-amine (PubChem CID 62203211) has the molecular formula C14H15N7 and a molecular weight of 281.32 g/mol. Its IUPAC name is N-propyl-6-[3-(tetrazol-1-yl)phenyl]pyridazin-3-amine.

Molecular Properties

Compound NameN-propyl-6-[3-(tetrazol-1-yl)phenyl]pyridazin-3-amine
PubChem CID62203211
Molecular FormulaC14H15N7
Molecular Weight281.32 g/mol
Exact Mass281.14
IUPAC NameN-propyl-6-[3-(tetrazol-1-yl)phenyl]pyridazin-3-amine
SMILESCCCNc1ccc(-c2cccc(-n3cnnn3)c2)nn1
InChIInChI=1S/C14H15N7/c1-2-8-15-14-7-6-13(17-18-14)11-4-3-5-12(9-11)21-10-16-19-20-21/h3-7,9-10H,2,8H2,1H3,(H,15,18)
InChIKeyCLRDQABWIBHCGL-UHFFFAOYSA-N
XLogP1.94
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3-propylphenyl)tetrazole
CID 130450814
N-tert-butyl-4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 62942366
2,2-dimethyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine
CID 61166998
N-methyl-1-[5-[3-(tetrazol-1-yl)phenyl]-1,2-oxazol-4-yl]methanamine
CID 65239815
2-(chloromethyl)-4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazole
CID 62922172
ethyl 4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazole-2-carboxylate
CID 61385361
N-[[3-[3-(tetrazol-1-yl)phenyl]-1H-pyrazol-5-yl]methyl]cyclopropanamine
CID 62113328
N-ethyl-6-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
CID 62201435
N-(1-cyclopropylpropyl)-3-(tetrazol-1-yl)aniline
CID 64920522
N-(2-methylsulfinylethyl)-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 115720609
N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]pent-3-yn-1-amine
CID 116642927
3-methoxy-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine
CID 43205101

Frequently Asked Questions

What is the IUPAC name of N-propyl-6-[3-(tetrazol-1-yl)phenyl]pyridazin-3-amine?
The IUPAC name of N-propyl-6-[3-(tetrazol-1-yl)phenyl]pyridazin-3-amine (CID 62203211) is N-propyl-6-[3-(tetrazol-1-yl)phenyl]pyridazin-3-amine.
What is the SMILES notation for N-propyl-6-[3-(tetrazol-1-yl)phenyl]pyridazin-3-amine?
The canonical SMILES for N-propyl-6-[3-(tetrazol-1-yl)phenyl]pyridazin-3-amine is CCCNc1ccc(-c2cccc(-n3cnnn3)c2)nn1.
What is the InChIKey of N-propyl-6-[3-(tetrazol-1-yl)phenyl]pyridazin-3-amine?
The InChIKey is CLRDQABWIBHCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7/c1-2-8-15-14-7-6-13(17-18-14)11-4-3-5-12(9-11)21-10-16-19-20-21/h3-7,9-10H,2,8H2,1H3,(H,15,18).
What are the key properties of N-propyl-6-[3-(tetrazol-1-yl)phenyl]pyridazin-3-amine?
N-propyl-6-[3-(tetrazol-1-yl)phenyl]pyridazin-3-amine has a molecular weight of 281.32 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-6-[3-(tetrazol-1-yl)phenyl]pyridazin-3-amine is sourced from PubChem (CID 62203211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).