N-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]methyl]cyclopropanamine

C14H19N5 — CID 62287034

IUPACN-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]methyl]cyclopropanamine
SMILESCc1nn(-c2ccc(CNC3CC3)nn2)c(C)c1C
InChIInChI=1S/C14H19N5/c1-9-10(2)18-19(11(9)3)14-7-6-13(16-17-14)8-15-12-4-5-12/h6-7,12,15H,4-5,8H2,1-3H3
InChIKeyVIRNOAGVAFRQIZ-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.84
Rot. Bonds4

About N-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]methyl]cyclopropanamine

N-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]methyl]cyclopropanamine (PubChem CID 62287034) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]methyl]cyclopropanamine
PubChem CID62287034
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC NameN-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]methyl]cyclopropanamine
SMILESCc1nn(-c2ccc(CNC3CC3)nn2)c(C)c1C
InChIInChI=1S/C14H19N5/c1-9-10(2)18-19(11(9)3)14-7-6-13(16-17-14)8-15-12-4-5-12/h6-7,12,15H,4-5,8H2,1-3H3
InChIKeyVIRNOAGVAFRQIZ-UHFFFAOYSA-N
XLogP1.84
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-(3,4,5-trimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 55059038
N-[[3-methyl-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine
CID 62123320
N-[[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridazin-3-yl]methyl]cyclopropanamine
CID 94391222
N-[[6-(3-propan-2-ylpyrazol-1-yl)pyridazin-3-yl]methyl]cyclopropanamine
CID 62492287
N-[[6-(2,2,6,6-tetramethylmorpholin-4-yl)pyridazin-3-yl]methyl]cyclopropanamine
CID 102745891
N-[[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 55059405
N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]methyl]ethanamine
CID 62293226
N-[[6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 62287746
N-[[6-(4-methoxypyrazol-1-yl)pyridazin-3-yl]methyl]cyclopropanamine
CID 114274107
N-[[6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyridazin-3-yl]methyl]cyclopropanamine
CID 62888182
N-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 62293572
N-[[6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methyl]cyclopropanamine
CID 114490536

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]methyl]cyclopropanamine (CID 62287034) is N-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]methyl]cyclopropanamine is Cc1nn(-c2ccc(CNC3CC3)nn2)c(C)c1C.
What is the InChIKey of N-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]methyl]cyclopropanamine?
The InChIKey is VIRNOAGVAFRQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-9-10(2)18-19(11(9)3)14-7-6-13(16-17-14)8-15-12-4-5-12/h6-7,12,15H,4-5,8H2,1-3H3.
What are the key properties of N-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]methyl]cyclopropanamine?
N-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]methyl]cyclopropanamine has a molecular weight of 257.34 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62287034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).