2-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hexane-1,2-diamine

C12H20N6 — CID 80704301

IUPAC2-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hexane-1,2-diamine
SMILESCCCCC(CN)Nc1cc(C)nc2ncnn12
InChIInChI=1S/C12H20N6/c1-3-4-5-10(7-13)17-11-6-9(2)16-12-14-8-15-18(11)12/h6,8,10,17H,3-5,7,13H2,1-2H3
InChIKeyHANWSBDLBAISII-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.36
Rot. Bonds6

About 2-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hexane-1,2-diamine

2-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hexane-1,2-diamine (PubChem CID 80704301) has the molecular formula C12H20N6 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hexane-1,2-diamine.

Molecular Properties

Compound Name2-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hexane-1,2-diamine
PubChem CID80704301
Molecular FormulaC12H20N6
Molecular Weight248.33 g/mol
Exact Mass248.17
IUPAC Name2-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hexane-1,2-diamine
SMILESCCCCC(CN)Nc1cc(C)nc2ncnn12
InChIInChI=1S/C12H20N6/c1-3-4-5-10(7-13)17-11-6-9(2)16-12-14-8-15-18(11)12/h6,8,10,17H,3-5,7,13H2,1-2H3
InChIKeyHANWSBDLBAISII-UHFFFAOYSA-N
XLogP1.36
TPSA81.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Trapidil
CID 5531
Cyclohexyl-(2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl)amine
CID 909822
5-Methyl(1,2,4)triazolo(1,5-a)pyrimidin-7-amine
CID 169505
(1,2,4)Triazolo(1,5-a)pyrimidin-7-amine, N-ethyl-5-methyl-
CID 40136
2-Methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 1480446
N-butan-2-yl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 3226946
5-methyl-N-(prop-2-yn-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 645877
Adamantan-2-yl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-amine
CID 650770
7-(4-Cyclohexylpiperazin-1-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 5308814
5,6-Dimethyl-N-octylpyrazolo[1,5-A]pyrimidin-7-amine
CID 12366060
5-methyl-N-[(E)-octadec-9-enyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 12366067
N-heptyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 53259244

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hexane-1,2-diamine?
The IUPAC name of 2-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hexane-1,2-diamine (CID 80704301) is 2-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hexane-1,2-diamine.
What is the SMILES notation for 2-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hexane-1,2-diamine?
The canonical SMILES for 2-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hexane-1,2-diamine is CCCCC(CN)Nc1cc(C)nc2ncnn12.
What is the InChIKey of 2-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hexane-1,2-diamine?
The InChIKey is HANWSBDLBAISII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6/c1-3-4-5-10(7-13)17-11-6-9(2)16-12-14-8-15-18(11)12/h6,8,10,17H,3-5,7,13H2,1-2H3.
What are the key properties of 2-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hexane-1,2-diamine?
2-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hexane-1,2-diamine has a molecular weight of 248.33 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hexane-1,2-diamine is sourced from PubChem (CID 80704301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).