(2S)-2-amino-N-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]cyclopropyl]propanamide;dihydrochloride

C14H20Cl2N6O — CID 67515255

IUPAC(2S)-2-amino-N-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]cyclopropyl]propanamide;dihydrochloride
SMILESC[C@H](N)C(=O)NC1(c2ccc(-c3cnn(C)c3)nn2)CC1.Cl.Cl
InChIInChI=1S/C14H18N6O.2ClH/c1-9(15)13(21)17-14(5-6-14)12-4-3-11(18-19-12)10-7-16-20(2)8-10;;/h3-4,7-9H,5-6,15H2,1-2H3,(H,17,21);2*1H/t9-;;/m0../s1
InChIKeyCQCXVVMHIJMSQT-WWPIYYJJSA-N
MW359.26 g/mol
LogP1.17
Rot. Bonds4

About (2S)-2-amino-N-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]cyclopropyl]propanamide;dihydrochloride

(2S)-2-amino-N-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]cyclopropyl]propanamide;dihydrochloride (PubChem CID 67515255) has the molecular formula C14H20Cl2N6O and a molecular weight of 359.26 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]cyclopropyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]cyclopropyl]propanamide;dihydrochloride
PubChem CID67515255
Molecular FormulaC14H20Cl2N6O
Molecular Weight359.26 g/mol
Exact Mass358.11
IUPAC Name(2S)-2-amino-N-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]cyclopropyl]propanamide;dihydrochloride
SMILESC[C@H](N)C(=O)NC1(c2ccc(-c3cnn(C)c3)nn2)CC1.Cl.Cl
InChIInChI=1S/C14H18N6O.2ClH/c1-9(15)13(21)17-14(5-6-14)12-4-3-11(18-19-12)10-7-16-20(2)8-10;;/h3-4,7-9H,5-6,15H2,1-2H3,(H,17,21);2*1H/t9-;;/m0../s1
InChIKeyCQCXVVMHIJMSQT-WWPIYYJJSA-N
XLogP1.17
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-(1-pyridin-2-ylcyclopropyl)propanamide;dihydrochloride
CID 67391715
2-[[(2R)-2-aminopropanoyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288761
2-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-2-phenylacetamide
CID 166005870
(2R)-2-amino-N-[1-(4-fluorophenyl)cyclopropyl]propanamide
CID 119318315
2-amino-1-(1-methylpyrazol-4-yl)propan-1-one
CID 82595197
(2R)-2-amino-N-(1-phenylcyclobutyl)propanamide
CID 119275385
ethane;2-methyl-N-[1-(1-propyltriazol-4-yl)cyclopropyl]propanamide
CID 154687902
(2S)-2-amino-N-[1-(3-fluorophenyl)cyclopropyl]propanamide
CID 119332670
2-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289879
2-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115290976
2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115291026
2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115290613

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]cyclopropyl]propanamide;dihydrochloride?
The IUPAC name of (2S)-2-amino-N-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]cyclopropyl]propanamide;dihydrochloride (CID 67515255) is (2S)-2-amino-N-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]cyclopropyl]propanamide;dihydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]cyclopropyl]propanamide;dihydrochloride?
The canonical SMILES for (2S)-2-amino-N-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]cyclopropyl]propanamide;dihydrochloride is C[C@H](N)C(=O)NC1(c2ccc(-c3cnn(C)c3)nn2)CC1.Cl.Cl.
What is the InChIKey of (2S)-2-amino-N-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]cyclopropyl]propanamide;dihydrochloride?
The InChIKey is CQCXVVMHIJMSQT-WWPIYYJJSA-N. The full InChI is InChI=1S/C14H18N6O.2ClH/c1-9(15)13(21)17-14(5-6-14)12-4-3-11(18-19-12)10-7-16-20(2)8-10;;/h3-4,7-9H,5-6,15H2,1-2H3,(H,17,21);2*1H/t9-;;/m0../s1.
What are the key properties of (2S)-2-amino-N-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]cyclopropyl]propanamide;dihydrochloride?
(2S)-2-amino-N-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]cyclopropyl]propanamide;dihydrochloride has a molecular weight of 359.26 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]cyclopropyl]propanamide;dihydrochloride is sourced from PubChem (CID 67515255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).