3-(8-ethyl-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-1-amine

C11H17N5 — CID 82166988

IUPAC3-(8-ethyl-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-1-amine
SMILESCCc1c(C)ncn2c(CCCN)nnc12
InChIInChI=1S/C11H17N5/c1-3-9-8(2)13-7-16-10(5-4-6-12)14-15-11(9)16/h7H,3-6,12H2,1-2H3
InChIKeyBFKGJRZRIDBKPO-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.89
Rot. Bonds4

About 3-(8-ethyl-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-1-amine

3-(8-ethyl-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-1-amine (PubChem CID 82166988) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-(8-ethyl-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(8-ethyl-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-1-amine
PubChem CID82166988
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name3-(8-ethyl-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-1-amine
SMILESCCc1c(C)ncn2c(CCCN)nnc12
InChIInChI=1S/C11H17N5/c1-3-9-8(2)13-7-16-10(5-4-6-12)14-15-11(9)16/h7H,3-6,12H2,1-2H3
InChIKeyBFKGJRZRIDBKPO-UHFFFAOYSA-N
XLogP0.89
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-methylimidazo[1,5-a]pyridin-5-yl)propan-1-amine
CID 83877257
3-(4,6-dimethyl-2-propylpyrimidin-5-yl)propan-1-amine
CID 62745596
3-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-1-amine
CID 79817683
5-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)pentan-1-amine
CID 62043687
3-(3-methylpyrazin-2-yl)propan-1-amine
CID 82417256
5-(3-aminopropyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112597174
8-ethyl-7-fluoroimidazo[1,2-a]pyridin-3-amine
CID 130065514
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propan-1-amine
CID 79220501
3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-amine
CID 82506740
6-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)hexan-1-amine
CID 43479092
5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentan-1-amine;hydrochloride
CID 56723920
3-(2,3,4,5,6-pentamethylphenyl)propan-1-amine
CID 59138114

Frequently Asked Questions

What is the IUPAC name of 3-(8-ethyl-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-1-amine?
The IUPAC name of 3-(8-ethyl-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-1-amine (CID 82166988) is 3-(8-ethyl-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-1-amine.
What is the SMILES notation for 3-(8-ethyl-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-1-amine?
The canonical SMILES for 3-(8-ethyl-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-1-amine is CCc1c(C)ncn2c(CCCN)nnc12.
What is the InChIKey of 3-(8-ethyl-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-1-amine?
The InChIKey is BFKGJRZRIDBKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-3-9-8(2)13-7-16-10(5-4-6-12)14-15-11(9)16/h7H,3-6,12H2,1-2H3.
What are the key properties of 3-(8-ethyl-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-1-amine?
3-(8-ethyl-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-1-amine has a molecular weight of 219.29 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-ethyl-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-1-amine is sourced from PubChem (CID 82166988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).