N-tert-butylpyrido[3,4-d]pyridazin-1-amine

C11H14N4 — CID 155035608

IUPACN-tert-butylpyrido[3,4-d]pyridazin-1-amine
SMILESCC(C)(C)Nc1nncc2cnccc12
InChIInChI=1S/C11H14N4/c1-11(2,3)14-10-9-4-5-12-6-8(9)7-13-15-10/h4-7H,1-3H3,(H,14,15)
InChIKeyDZMXZXDPOSNKNO-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.24
Rot. Bonds1

About N-tert-butylpyrido[3,4-d]pyridazin-1-amine

N-tert-butylpyrido[3,4-d]pyridazin-1-amine (PubChem CID 155035608) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is N-tert-butylpyrido[3,4-d]pyridazin-1-amine.

Molecular Properties

Compound NameN-tert-butylpyrido[3,4-d]pyridazin-1-amine
PubChem CID155035608
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC NameN-tert-butylpyrido[3,4-d]pyridazin-1-amine
SMILESCC(C)(C)Nc1nncc2cnccc12
InChIInChI=1S/C11H14N4/c1-11(2,3)14-10-9-4-5-12-6-8(9)7-13-15-10/h4-7H,1-3H3,(H,14,15)
InChIKeyDZMXZXDPOSNKNO-UHFFFAOYSA-N
XLogP2.24
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[3-(trifluoromethyl)-4-pyridinyl]pyrido[3,4-d]pyrimidin-4-amine
CID 135390680
N-(1-pyridin-3-ylethyl)phthalazin-1-amine
CID 43396321
3,8-phenanthroline
CID 13064691
3,3,3-trifluoro-2-methyl-2-(phthalazin-1-ylamino)propanoic acid
CID 79798204
N-tert-butylisoquinolin-1-amine;hydrate
CID 51057763
N-[1-chloro-2-(chloromethyl)butan-2-yl]phthalazin-1-amine
CID 114010824
2-methyl-2-(phthalazin-1-ylamino)pentanoic acid
CID 43619317
1-(4-chloro-2-methoxyphenyl)pyrido[3,4-d]pyridazine
CID 175937702
N-tert-butylisoquinolin-4-amine
CID 58709881
N-tert-butyl-2-(phthalazin-1-ylamino)acetamide
CID 78911728
3-(tert-butylamino)pyridine-4-carbothioamide
CID 114288000
5-N-tert-butyl-3-N-methyl-3-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112958907

Frequently Asked Questions

What is the IUPAC name of N-tert-butylpyrido[3,4-d]pyridazin-1-amine?
The IUPAC name of N-tert-butylpyrido[3,4-d]pyridazin-1-amine (CID 155035608) is N-tert-butylpyrido[3,4-d]pyridazin-1-amine.
What is the SMILES notation for N-tert-butylpyrido[3,4-d]pyridazin-1-amine?
The canonical SMILES for N-tert-butylpyrido[3,4-d]pyridazin-1-amine is CC(C)(C)Nc1nncc2cnccc12.
What is the InChIKey of N-tert-butylpyrido[3,4-d]pyridazin-1-amine?
The InChIKey is DZMXZXDPOSNKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-11(2,3)14-10-9-4-5-12-6-8(9)7-13-15-10/h4-7H,1-3H3,(H,14,15).
What are the key properties of N-tert-butylpyrido[3,4-d]pyridazin-1-amine?
N-tert-butylpyrido[3,4-d]pyridazin-1-amine has a molecular weight of 202.26 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylpyrido[3,4-d]pyridazin-1-amine is sourced from PubChem (CID 155035608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).