2-tert-butyl-N-(pyridazin-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine

C15H18N6 — CID 106896589

IUPAC2-tert-butyl-N-(pyridazin-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(C)(C)c1cc2c(NCc3cccnn3)nccn2n1
InChIInChI=1S/C15H18N6/c1-15(2,3)13-9-12-14(16-7-8-21(12)20-13)17-10-11-5-4-6-18-19-11/h4-9H,10H2,1-3H3,(H,16,17)
InChIKeyTWAFAHZJASZEHX-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.43
Rot. Bonds3

About 2-tert-butyl-N-(pyridazin-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine

2-tert-butyl-N-(pyridazin-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 106896589) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-tert-butyl-N-(pyridazin-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-(pyridazin-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID106896589
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC Name2-tert-butyl-N-(pyridazin-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(C)(C)c1cc2c(NCc3cccnn3)nccn2n1
InChIInChI=1S/C15H18N6/c1-15(2,3)13-9-12-14(16-7-8-21(12)20-13)17-10-11-5-4-6-18-19-11/h4-9H,10H2,1-3H3,(H,16,17)
InChIKeyTWAFAHZJASZEHX-UHFFFAOYSA-N
XLogP2.43
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(pyridazin-3-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 106896541
2-tert-butyl-N-(2-chloroethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104733907
2-tert-butyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730378
2-tert-butyl-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 113446406
2-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 104731292
2-tert-butyl-N-(3-methylpentan-3-yl)pyrazolo[1,5-a]pyrazin-4-amine
CID 106329795
2-tert-butyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 138052964
N'-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)pentane-1,5-diamine
CID 107323432
2-tert-butyl-N-(3-chloro-2-methylpropyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104733993
2-tert-butyl-N-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731973
2-tert-butyl-N-pent-3-ynylpyrazolo[1,5-a]pyrazin-4-amine
CID 116644524
3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]-2-hydroxypropanamide
CID 106170571

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(pyridazin-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of 2-tert-butyl-N-(pyridazin-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine (CID 106896589) is 2-tert-butyl-N-(pyridazin-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-(pyridazin-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for 2-tert-butyl-N-(pyridazin-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine is CC(C)(C)c1cc2c(NCc3cccnn3)nccn2n1.
What is the InChIKey of 2-tert-butyl-N-(pyridazin-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is TWAFAHZJASZEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6/c1-15(2,3)13-9-12-14(16-7-8-21(12)20-13)17-10-11-5-4-6-18-19-11/h4-9H,10H2,1-3H3,(H,16,17).
What are the key properties of 2-tert-butyl-N-(pyridazin-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine?
2-tert-butyl-N-(pyridazin-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 282.35 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(pyridazin-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 106896589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).