[1-[4-(6-amino-4-phenylpyridazin-3-yl)phenyl]cyclopropyl]carbamic acid

C20H18N4O2 — CID 121438808

IUPAC[1-[4-(6-amino-4-phenylpyridazin-3-yl)phenyl]cyclopropyl]carbamic acid
SMILESNc1cc(-c2ccccc2)c(-c2ccc(C3(NC(=O)O)CC3)cc2)nn1
InChIInChI=1S/C20H18N4O2/c21-17-12-16(13-4-2-1-3-5-13)18(24-23-17)14-6-8-15(9-7-14)20(10-11-20)22-19(25)26/h1-9,12,22H,10-11H2,(H2,21,23)(H,25,26)
InChIKeyIGDYCKFTQTVGEN-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.65
Rot. Bonds4

About [1-[4-(6-amino-4-phenylpyridazin-3-yl)phenyl]cyclopropyl]carbamic acid

[1-[4-(6-amino-4-phenylpyridazin-3-yl)phenyl]cyclopropyl]carbamic acid (PubChem CID 121438808) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is [1-[4-(6-amino-4-phenylpyridazin-3-yl)phenyl]cyclopropyl]carbamic acid.

Molecular Properties

Compound Name[1-[4-(6-amino-4-phenylpyridazin-3-yl)phenyl]cyclopropyl]carbamic acid
PubChem CID121438808
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name[1-[4-(6-amino-4-phenylpyridazin-3-yl)phenyl]cyclopropyl]carbamic acid
SMILESNc1cc(-c2ccccc2)c(-c2ccc(C3(NC(=O)O)CC3)cc2)nn1
InChIInChI=1S/C20H18N4O2/c21-17-12-16(13-4-2-1-3-5-13)18(24-23-17)14-6-8-15(9-7-14)20(10-11-20)22-19(25)26/h1-9,12,22H,10-11H2,(H2,21,23)(H,25,26)
InChIKeyIGDYCKFTQTVGEN-UHFFFAOYSA-N
XLogP3.65
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(6-amino-4-phenylpyridazin-3-yl)phenyl]cyclopropyl]carbamic acid?
The IUPAC name of [1-[4-(6-amino-4-phenylpyridazin-3-yl)phenyl]cyclopropyl]carbamic acid (CID 121438808) is [1-[4-(6-amino-4-phenylpyridazin-3-yl)phenyl]cyclopropyl]carbamic acid.
What is the SMILES notation for [1-[4-(6-amino-4-phenylpyridazin-3-yl)phenyl]cyclopropyl]carbamic acid?
The canonical SMILES for [1-[4-(6-amino-4-phenylpyridazin-3-yl)phenyl]cyclopropyl]carbamic acid is Nc1cc(-c2ccccc2)c(-c2ccc(C3(NC(=O)O)CC3)cc2)nn1.
What is the InChIKey of [1-[4-(6-amino-4-phenylpyridazin-3-yl)phenyl]cyclopropyl]carbamic acid?
The InChIKey is IGDYCKFTQTVGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c21-17-12-16(13-4-2-1-3-5-13)18(24-23-17)14-6-8-15(9-7-14)20(10-11-20)22-19(25)26/h1-9,12,22H,10-11H2,(H2,21,23)(H,25,26).
What are the key properties of [1-[4-(6-amino-4-phenylpyridazin-3-yl)phenyl]cyclopropyl]carbamic acid?
[1-[4-(6-amino-4-phenylpyridazin-3-yl)phenyl]cyclopropyl]carbamic acid has a molecular weight of 346.39 g/mol, XLogP of 3.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(6-amino-4-phenylpyridazin-3-yl)phenyl]cyclopropyl]carbamic acid is sourced from PubChem (CID 121438808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).