(5,6-dimethyl-3-propan-2-ylsulfanylpyridazin-4-yl)methanamine

C10H17N3S — CID 61096431

IUPAC(5,6-dimethyl-3-propan-2-ylsulfanylpyridazin-4-yl)methanamine
SMILESCc1nnc(SC(C)C)c(CN)c1C
InChIInChI=1S/C10H17N3S/c1-6(2)14-10-9(5-11)7(3)8(4)12-13-10/h6H,5,11H2,1-4H3
InChIKeyYVNLVPRUSGKVTP-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.05
Rot. Bonds3

About (5,6-dimethyl-3-propan-2-ylsulfanylpyridazin-4-yl)methanamine

(5,6-dimethyl-3-propan-2-ylsulfanylpyridazin-4-yl)methanamine (PubChem CID 61096431) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is (5,6-dimethyl-3-propan-2-ylsulfanylpyridazin-4-yl)methanamine.

Molecular Properties

Compound Name(5,6-dimethyl-3-propan-2-ylsulfanylpyridazin-4-yl)methanamine
PubChem CID61096431
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name(5,6-dimethyl-3-propan-2-ylsulfanylpyridazin-4-yl)methanamine
SMILESCc1nnc(SC(C)C)c(CN)c1C
InChIInChI=1S/C10H17N3S/c1-6(2)14-10-9(5-11)7(3)8(4)12-13-10/h6H,5,11H2,1-4H3
InChIKeyYVNLVPRUSGKVTP-UHFFFAOYSA-N
XLogP2.05
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5,6-dimethyl-3-propan-2-ylsulfanylpyridazin-4-yl)methanamine?
The IUPAC name of (5,6-dimethyl-3-propan-2-ylsulfanylpyridazin-4-yl)methanamine (CID 61096431) is (5,6-dimethyl-3-propan-2-ylsulfanylpyridazin-4-yl)methanamine.
What is the SMILES notation for (5,6-dimethyl-3-propan-2-ylsulfanylpyridazin-4-yl)methanamine?
The canonical SMILES for (5,6-dimethyl-3-propan-2-ylsulfanylpyridazin-4-yl)methanamine is Cc1nnc(SC(C)C)c(CN)c1C.
What is the InChIKey of (5,6-dimethyl-3-propan-2-ylsulfanylpyridazin-4-yl)methanamine?
The InChIKey is YVNLVPRUSGKVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-6(2)14-10-9(5-11)7(3)8(4)12-13-10/h6H,5,11H2,1-4H3.
What are the key properties of (5,6-dimethyl-3-propan-2-ylsulfanylpyridazin-4-yl)methanamine?
(5,6-dimethyl-3-propan-2-ylsulfanylpyridazin-4-yl)methanamine has a molecular weight of 211.33 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-dimethyl-3-propan-2-ylsulfanylpyridazin-4-yl)methanamine is sourced from PubChem (CID 61096431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).