6-(3-methylpyrazol-1-yl)-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazin-3-amine

C15H19F3N6 — CID 97007910

IUPAC6-(3-methylpyrazol-1-yl)-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazin-3-amine
SMILESCc1ccn(-c2ccc(NC[C@@H]3CCN(CC(F)(F)F)C3)nn2)n1
InChIInChI=1S/C15H19F3N6/c1-11-4-7-24(22-11)14-3-2-13(20-21-14)19-8-12-5-6-23(9-12)10-15(16,17)18/h2-4,7,12H,5-6,8-10H2,1H3,(H,19,20)/t12-/m0/s1
InChIKeyHKLFVMJQQALQPE-LBPRGKRZSA-N
MW340.35 g/mol
LogP2.27
Rot. Bonds5

About 6-(3-methylpyrazol-1-yl)-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazin-3-amine

6-(3-methylpyrazol-1-yl)-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazin-3-amine (PubChem CID 97007910) has the molecular formula C15H19F3N6 and a molecular weight of 340.35 g/mol. Its IUPAC name is 6-(3-methylpyrazol-1-yl)-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-(3-methylpyrazol-1-yl)-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazin-3-amine
PubChem CID97007910
Molecular FormulaC15H19F3N6
Molecular Weight340.35 g/mol
Exact Mass340.16
IUPAC Name6-(3-methylpyrazol-1-yl)-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazin-3-amine
SMILESCc1ccn(-c2ccc(NC[C@@H]3CCN(CC(F)(F)F)C3)nn2)n1
InChIInChI=1S/C15H19F3N6/c1-11-4-7-24(22-11)14-3-2-13(20-21-14)19-8-12-5-6-23(9-12)10-15(16,17)18/h2-4,7,12H,5-6,8-10H2,1H3,(H,19,20)/t12-/m0/s1
InChIKeyHKLFVMJQQALQPE-LBPRGKRZSA-N
XLogP2.27
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methylpyrazol-1-yl)-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazin-3-amine?
The IUPAC name of 6-(3-methylpyrazol-1-yl)-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazin-3-amine (CID 97007910) is 6-(3-methylpyrazol-1-yl)-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazin-3-amine.
What is the SMILES notation for 6-(3-methylpyrazol-1-yl)-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazin-3-amine?
The canonical SMILES for 6-(3-methylpyrazol-1-yl)-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazin-3-amine is Cc1ccn(-c2ccc(NC[C@@H]3CCN(CC(F)(F)F)C3)nn2)n1.
What is the InChIKey of 6-(3-methylpyrazol-1-yl)-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazin-3-amine?
The InChIKey is HKLFVMJQQALQPE-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19F3N6/c1-11-4-7-24(22-11)14-3-2-13(20-21-14)19-8-12-5-6-23(9-12)10-15(16,17)18/h2-4,7,12H,5-6,8-10H2,1H3,(H,19,20)/t12-/m0/s1.
What are the key properties of 6-(3-methylpyrazol-1-yl)-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazin-3-amine?
6-(3-methylpyrazol-1-yl)-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazin-3-amine has a molecular weight of 340.35 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylpyrazol-1-yl)-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazin-3-amine is sourced from PubChem (CID 97007910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).