N-(2-pyrrolidin-3-ylethyl)-6-(1H-pyrrol-3-yl)pyridazin-3-amine

C14H19N5 — CID 116972198

IUPACN-(2-pyrrolidin-3-ylethyl)-6-(1H-pyrrol-3-yl)pyridazin-3-amine
SMILESc1cc(-c2ccc(NCCC3CCNC3)nn2)c[nH]1
InChIInChI=1S/C14H19N5/c1-2-14(17-8-4-11-3-6-15-9-11)19-18-13(1)12-5-7-16-10-12/h1-2,5,7,10-11,15-16H,3-4,6,8-9H2,(H,17,19)
InChIKeyBTTOJUODOXDGFC-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.88
Rot. Bonds5

About N-(2-pyrrolidin-3-ylethyl)-6-(1H-pyrrol-3-yl)pyridazin-3-amine

N-(2-pyrrolidin-3-ylethyl)-6-(1H-pyrrol-3-yl)pyridazin-3-amine (PubChem CID 116972198) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(2-pyrrolidin-3-ylethyl)-6-(1H-pyrrol-3-yl)pyridazin-3-amine.

Molecular Properties

Compound NameN-(2-pyrrolidin-3-ylethyl)-6-(1H-pyrrol-3-yl)pyridazin-3-amine
PubChem CID116972198
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC NameN-(2-pyrrolidin-3-ylethyl)-6-(1H-pyrrol-3-yl)pyridazin-3-amine
SMILESc1cc(-c2ccc(NCCC3CCNC3)nn2)c[nH]1
InChIInChI=1S/C14H19N5/c1-2-14(17-8-4-11-3-6-15-9-11)19-18-13(1)12-5-7-16-10-12/h1-2,5,7,10-11,15-16H,3-4,6,8-9H2,(H,17,19)
InChIKeyBTTOJUODOXDGFC-UHFFFAOYSA-N
XLogP1.88
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-pyrrolidin-3-yl-6-(1H-pyrrol-3-yl)pyridazin-3-amine
CID 116970983
N-(2-piperidin-3-ylethyl)-6-propan-2-ylpyridazin-3-amine
CID 116972213
6-ethyl-N-(2-piperidin-3-ylethyl)pyridazin-3-amine
CID 116972209
6-(2-methylpropyl)-N-(2-piperidin-4-ylethyl)pyridazin-3-amine
CID 116972216
N-(2-pyrrolidin-3-ylethyl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-amine
CID 115039096
6-phenyl-N-(piperidin-3-ylmethyl)pyridazin-3-amine
CID 116971112
N-(2-piperidin-4-ylethyl)-6-propylpyridazin-3-amine
CID 116972215
2,2-dimethyl-3-[[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]propanoic acid
CID 116971527
2-(azetidin-3-yl)-N-(2-pyrrolidin-3-ylethyl)pyrazol-3-amine
CID 165474821
6-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]pyridazin-3-amine
CID 96586619
6-cyclobutyl-N-(pyrrolidin-3-ylmethyl)pyridazin-3-amine
CID 116971097
2-methyl-N-(2-pyrrolidin-3-ylethyl)pyrazol-3-amine
CID 103542541

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-3-ylethyl)-6-(1H-pyrrol-3-yl)pyridazin-3-amine?
The IUPAC name of N-(2-pyrrolidin-3-ylethyl)-6-(1H-pyrrol-3-yl)pyridazin-3-amine (CID 116972198) is N-(2-pyrrolidin-3-ylethyl)-6-(1H-pyrrol-3-yl)pyridazin-3-amine.
What is the SMILES notation for N-(2-pyrrolidin-3-ylethyl)-6-(1H-pyrrol-3-yl)pyridazin-3-amine?
The canonical SMILES for N-(2-pyrrolidin-3-ylethyl)-6-(1H-pyrrol-3-yl)pyridazin-3-amine is c1cc(-c2ccc(NCCC3CCNC3)nn2)c[nH]1.
What is the InChIKey of N-(2-pyrrolidin-3-ylethyl)-6-(1H-pyrrol-3-yl)pyridazin-3-amine?
The InChIKey is BTTOJUODOXDGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-2-14(17-8-4-11-3-6-15-9-11)19-18-13(1)12-5-7-16-10-12/h1-2,5,7,10-11,15-16H,3-4,6,8-9H2,(H,17,19).
What are the key properties of N-(2-pyrrolidin-3-ylethyl)-6-(1H-pyrrol-3-yl)pyridazin-3-amine?
N-(2-pyrrolidin-3-ylethyl)-6-(1H-pyrrol-3-yl)pyridazin-3-amine has a molecular weight of 257.34 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-3-ylethyl)-6-(1H-pyrrol-3-yl)pyridazin-3-amine is sourced from PubChem (CID 116972198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).