5-(3-aminopyrrolidin-1-yl)-N-[(4-methylphenyl)methyl]pyridazin-3-amine

C16H21N5 — CID 76709057

IUPAC5-(3-aminopyrrolidin-1-yl)-N-[(4-methylphenyl)methyl]pyridazin-3-amine
SMILESCc1ccc(CNc2cc(N3CCC(N)C3)cnn2)cc1
InChIInChI=1S/C16H21N5/c1-12-2-4-13(5-3-12)9-18-16-8-15(10-19-20-16)21-7-6-14(17)11-21/h2-5,8,10,14H,6-7,9,11,17H2,1H3,(H,18,20)
InChIKeyKGKCDGRBBJOFJS-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.93
Rot. Bonds4

About 5-(3-aminopyrrolidin-1-yl)-N-[(4-methylphenyl)methyl]pyridazin-3-amine

5-(3-aminopyrrolidin-1-yl)-N-[(4-methylphenyl)methyl]pyridazin-3-amine (PubChem CID 76709057) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 5-(3-aminopyrrolidin-1-yl)-N-[(4-methylphenyl)methyl]pyridazin-3-amine.

Molecular Properties

Compound Name5-(3-aminopyrrolidin-1-yl)-N-[(4-methylphenyl)methyl]pyridazin-3-amine
PubChem CID76709057
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name5-(3-aminopyrrolidin-1-yl)-N-[(4-methylphenyl)methyl]pyridazin-3-amine
SMILESCc1ccc(CNc2cc(N3CCC(N)C3)cnn2)cc1
InChIInChI=1S/C16H21N5/c1-12-2-4-13(5-3-12)9-18-16-8-15(10-19-20-16)21-7-6-14(17)11-21/h2-5,8,10,14H,6-7,9,11,17H2,1H3,(H,18,20)
InChIKeyKGKCDGRBBJOFJS-UHFFFAOYSA-N
XLogP1.93
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3R)-3-aminopyrrolidin-1-yl]-N-butylpyridazin-3-amine
CID 58227228
5-(3-aminopyrrolidin-1-yl)-N-(cyclopentylmethyl)pyridazin-3-amine
CID 76709112
5-[(3R)-3-aminopyrrolidin-1-yl]-N-[2-methyl-3-(3-methylcyclopentyl)propyl]pyridazin-3-amine
CID 130321688
5-(3-aminopyrrolidin-1-yl)-N-cyclopentylpyridazin-3-amine
CID 76709020
CID 87167842
CID 87167842
(3R)-1-(4-methylphenyl)pyrrolidin-3-amine
CID 93285995
5-(3-aminoazetidin-1-yl)-N-(2-methylpropyl)pyridazin-3-amine
CID 58227336
5-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-phenylethyl)pyridazin-3-amine
CID 58227400
1-(5-methylpyridazin-3-yl)pyrrolidin-3-amine
CID 106550134
N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112948593
[4-[[(5-methylpyridazin-3-yl)amino]methyl]phenyl]methanol
CID 107232489
(3R,5S)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-[(4-methylphenyl)methylamino]-1,3,5-triazin-2-yl]piperidine-3,5-diamine
CID 58949013

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopyrrolidin-1-yl)-N-[(4-methylphenyl)methyl]pyridazin-3-amine?
The IUPAC name of 5-(3-aminopyrrolidin-1-yl)-N-[(4-methylphenyl)methyl]pyridazin-3-amine (CID 76709057) is 5-(3-aminopyrrolidin-1-yl)-N-[(4-methylphenyl)methyl]pyridazin-3-amine.
What is the SMILES notation for 5-(3-aminopyrrolidin-1-yl)-N-[(4-methylphenyl)methyl]pyridazin-3-amine?
The canonical SMILES for 5-(3-aminopyrrolidin-1-yl)-N-[(4-methylphenyl)methyl]pyridazin-3-amine is Cc1ccc(CNc2cc(N3CCC(N)C3)cnn2)cc1.
What is the InChIKey of 5-(3-aminopyrrolidin-1-yl)-N-[(4-methylphenyl)methyl]pyridazin-3-amine?
The InChIKey is KGKCDGRBBJOFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-12-2-4-13(5-3-12)9-18-16-8-15(10-19-20-16)21-7-6-14(17)11-21/h2-5,8,10,14H,6-7,9,11,17H2,1H3,(H,18,20).
What are the key properties of 5-(3-aminopyrrolidin-1-yl)-N-[(4-methylphenyl)methyl]pyridazin-3-amine?
5-(3-aminopyrrolidin-1-yl)-N-[(4-methylphenyl)methyl]pyridazin-3-amine has a molecular weight of 283.38 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopyrrolidin-1-yl)-N-[(4-methylphenyl)methyl]pyridazin-3-amine is sourced from PubChem (CID 76709057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).