N-(cyclopropylmethyl)-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine

C13H21N5 — CID 58227385

IUPACN-(cyclopropylmethyl)-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine
SMILESCN[C@@H]1CCN(c2cnnc(NCC3CC3)c2)C1
InChIInChI=1S/C13H21N5/c1-14-11-4-5-18(9-11)12-6-13(17-16-8-12)15-7-10-2-3-10/h6,8,10-11,14H,2-5,7,9H2,1H3,(H,15,17)/t11-/m1/s1
InChIKeyOKCLNWPTVGLGIO-LLVKDONJSA-N
MW247.35 g/mol
LogP1.10
Rot. Bonds5

About N-(cyclopropylmethyl)-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine

N-(cyclopropylmethyl)-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine (PubChem CID 58227385) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine
PubChem CID58227385
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC NameN-(cyclopropylmethyl)-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine
SMILESCN[C@@H]1CCN(c2cnnc(NCC3CC3)c2)C1
InChIInChI=1S/C13H21N5/c1-14-11-4-5-18(9-11)12-6-13(17-16-8-12)15-7-10-2-3-10/h6,8,10-11,14H,2-5,7,9H2,1H3,(H,15,17)/t11-/m1/s1
InChIKeyOKCLNWPTVGLGIO-LLVKDONJSA-N
XLogP1.10
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine?
The IUPAC name of N-(cyclopropylmethyl)-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine (CID 58227385) is N-(cyclopropylmethyl)-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine?
The canonical SMILES for N-(cyclopropylmethyl)-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine is CN[C@@H]1CCN(c2cnnc(NCC3CC3)c2)C1.
What is the InChIKey of N-(cyclopropylmethyl)-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine?
The InChIKey is OKCLNWPTVGLGIO-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21N5/c1-14-11-4-5-18(9-11)12-6-13(17-16-8-12)15-7-10-2-3-10/h6,8,10-11,14H,2-5,7,9H2,1H3,(H,15,17)/t11-/m1/s1.
What are the key properties of N-(cyclopropylmethyl)-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine?
N-(cyclopropylmethyl)-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine has a molecular weight of 247.35 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine is sourced from PubChem (CID 58227385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).