[1-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cycloheptyl]methanamine

C13H19N5 — CID 113310873

IUPAC[1-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cycloheptyl]methanamine
SMILESNCC1(c2nnc3ccncn23)CCCCCC1
InChIInChI=1S/C13H19N5/c14-9-13(6-3-1-2-4-7-13)12-17-16-11-5-8-15-10-18(11)12/h5,8,10H,1-4,6-7,9,14H2
InChIKeyLWWGJIINVORSSY-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.67
Rot. Bonds2

About [1-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cycloheptyl]methanamine

[1-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cycloheptyl]methanamine (PubChem CID 113310873) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is [1-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cycloheptyl]methanamine.

Molecular Properties

Compound Name[1-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cycloheptyl]methanamine
PubChem CID113310873
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name[1-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cycloheptyl]methanamine
SMILESNCC1(c2nnc3ccncn23)CCCCCC1
InChIInChI=1S/C13H19N5/c14-9-13(6-3-1-2-4-7-13)12-17-16-11-5-8-15-10-18(11)12/h5,8,10H,1-4,6-7,9,14H2
InChIKeyLWWGJIINVORSSY-UHFFFAOYSA-N
XLogP1.67
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopentyl]methanamine
CID 115433694
1-([1,2,4]triazolo[4,3-c]pyrimidin-3-ylmethyl)cyclohexan-1-amine
CID 79816818
ethyl 1-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclohexane-1-carboxylate
CID 79823195
1-([1,2,4]triazolo[4,3-c]pyrimidin-3-ylmethyl)cyclobutan-1-amine
CID 79845154
[1-(4-cyclopentyl-1,2,4-triazol-3-yl)cycloheptyl]methanamine
CID 115444888
5-[1-(aminomethyl)cyclohexyl]-1,2,4-triazole-3,4-diamine
CID 115437081
[1-(1-methylimidazo[4,5-c]pyridin-2-yl)cycloheptyl]methanamine
CID 115443687
[4-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]methanamine
CID 113310564
(1-pyrimidin-4-ylcyclohexyl)methanamine
CID 82604335
[1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]methanamine
CID 82597229
[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-4-methylcyclohexyl]methanamine
CID 115442690
[1-(4-ethyl-1,2,4-triazol-3-yl)cyclobutyl]methanamine
CID 115447062

Frequently Asked Questions

What is the IUPAC name of [1-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cycloheptyl]methanamine?
The IUPAC name of [1-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cycloheptyl]methanamine (CID 113310873) is [1-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cycloheptyl]methanamine.
What is the SMILES notation for [1-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cycloheptyl]methanamine?
The canonical SMILES for [1-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cycloheptyl]methanamine is NCC1(c2nnc3ccncn23)CCCCCC1.
What is the InChIKey of [1-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cycloheptyl]methanamine?
The InChIKey is LWWGJIINVORSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c14-9-13(6-3-1-2-4-7-13)12-17-16-11-5-8-15-10-18(11)12/h5,8,10H,1-4,6-7,9,14H2.
What are the key properties of [1-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cycloheptyl]methanamine?
[1-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cycloheptyl]methanamine has a molecular weight of 245.33 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cycloheptyl]methanamine is sourced from PubChem (CID 113310873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).