ethane;6-methyl-8-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-1-amine

C12H20N4 — CID 178177107

IUPACethane;6-methyl-8-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-1-amine
SMILESCC.Cc1cc(C(C)C)c2c(N)nncn12
InChIInChI=1S/C10H14N4.C2H6/c1-6(2)8-4-7(3)14-5-12-13-10(11)9(8)14;1-2/h4-6H,1-3H3,(H2,11,13);1-2H3
InChIKeyNABJAPMPKDNSFM-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.77
Rot. Bonds1

About ethane;6-methyl-8-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-1-amine

ethane;6-methyl-8-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-1-amine (PubChem CID 178177107) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is ethane;6-methyl-8-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-1-amine.

Molecular Properties

Compound Nameethane;6-methyl-8-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-1-amine
PubChem CID178177107
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Nameethane;6-methyl-8-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-1-amine
SMILESCC.Cc1cc(C(C)C)c2c(N)nncn12
InChIInChI=1S/C10H14N4.C2H6/c1-6(2)8-4-7(3)14-5-12-13-10(11)9(8)14;1-2/h4-6H,1-3H3,(H2,11,13);1-2H3
InChIKeyNABJAPMPKDNSFM-UHFFFAOYSA-N
XLogP2.77
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-8-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-1-amine?
The IUPAC name of ethane;6-methyl-8-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-1-amine (CID 178177107) is ethane;6-methyl-8-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-1-amine.
What is the SMILES notation for ethane;6-methyl-8-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-1-amine?
The canonical SMILES for ethane;6-methyl-8-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-1-amine is CC.Cc1cc(C(C)C)c2c(N)nncn12.
What is the InChIKey of ethane;6-methyl-8-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-1-amine?
The InChIKey is NABJAPMPKDNSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4.C2H6/c1-6(2)8-4-7(3)14-5-12-13-10(11)9(8)14;1-2/h4-6H,1-3H3,(H2,11,13);1-2H3.
What are the key properties of ethane;6-methyl-8-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-1-amine?
ethane;6-methyl-8-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-1-amine has a molecular weight of 220.32 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-8-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-1-amine is sourced from PubChem (CID 178177107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).