N-[(1S)-2,2-dimethyl-1-(1-methylpyrazol-4-yl)propyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C14H19N7 — CID 164637225

IUPACN-[(1S)-2,2-dimethyl-1-(1-methylpyrazol-4-yl)propyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCn1cc([C@@H](Nc2ccc3nncn3n2)C(C)(C)C)cn1
InChIInChI=1S/C14H19N7/c1-14(2,3)13(10-7-16-20(4)8-10)17-11-5-6-12-18-15-9-21(12)19-11/h5-9,13H,1-4H3,(H,17,19)/t13-/m1/s1
InChIKeyPAKFEKLSCLOMCW-CYBMUJFWSA-N
MW285.36 g/mol
LogP2.06
Rot. Bonds3

About N-[(1S)-2,2-dimethyl-1-(1-methylpyrazol-4-yl)propyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-[(1S)-2,2-dimethyl-1-(1-methylpyrazol-4-yl)propyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 164637225) has the molecular formula C14H19N7 and a molecular weight of 285.36 g/mol. Its IUPAC name is N-[(1S)-2,2-dimethyl-1-(1-methylpyrazol-4-yl)propyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(1S)-2,2-dimethyl-1-(1-methylpyrazol-4-yl)propyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID164637225
Molecular FormulaC14H19N7
Molecular Weight285.36 g/mol
Exact Mass285.17
IUPAC NameN-[(1S)-2,2-dimethyl-1-(1-methylpyrazol-4-yl)propyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCn1cc([C@@H](Nc2ccc3nncn3n2)C(C)(C)C)cn1
InChIInChI=1S/C14H19N7/c1-14(2,3)13(10-7-16-20(4)8-10)17-11-5-6-12-18-15-9-21(12)19-11/h5-9,13H,1-4H3,(H,17,19)/t13-/m1/s1
InChIKeyPAKFEKLSCLOMCW-CYBMUJFWSA-N
XLogP2.06
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(1S)-2,2-dimethyl-1-(1-methylpyrazol-4-yl)propyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,2-dimethyl-1-(1-methylpyrazol-4-yl)propyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-[(1S)-2,2-dimethyl-1-(1-methylpyrazol-4-yl)propyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 164637225) is N-[(1S)-2,2-dimethyl-1-(1-methylpyrazol-4-yl)propyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-[(1S)-2,2-dimethyl-1-(1-methylpyrazol-4-yl)propyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-[(1S)-2,2-dimethyl-1-(1-methylpyrazol-4-yl)propyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is Cn1cc([C@@H](Nc2ccc3nncn3n2)C(C)(C)C)cn1.
What is the InChIKey of N-[(1S)-2,2-dimethyl-1-(1-methylpyrazol-4-yl)propyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is PAKFEKLSCLOMCW-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19N7/c1-14(2,3)13(10-7-16-20(4)8-10)17-11-5-6-12-18-15-9-21(12)19-11/h5-9,13H,1-4H3,(H,17,19)/t13-/m1/s1.
What are the key properties of N-[(1S)-2,2-dimethyl-1-(1-methylpyrazol-4-yl)propyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-[(1S)-2,2-dimethyl-1-(1-methylpyrazol-4-yl)propyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 285.36 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2,2-dimethyl-1-(1-methylpyrazol-4-yl)propyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 164637225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).