N,7-dimethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

C7H13N5 — CID 136840618

IUPACN,7-dimethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCNc1nc2n(n1)C(C)CCN2
InChIInChI=1S/C7H13N5/c1-5-3-4-9-7-10-6(8-2)11-12(5)7/h5H,3-4H2,1-2H3,(H2,8,9,10,11)
InChIKeyFVCLSXSDBVNWKW-UHFFFAOYSA-N
MW167.22 g/mol
LogP0.70
Rot. Bonds1

About N,7-dimethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

N,7-dimethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 136840618) has the molecular formula C7H13N5 and a molecular weight of 167.22 g/mol. Its IUPAC name is N,7-dimethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound NameN,7-dimethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID136840618
Molecular FormulaC7H13N5
Molecular Weight167.22 g/mol
Exact Mass167.12
IUPAC NameN,7-dimethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCNc1nc2n(n1)C(C)CCN2
InChIInChI=1S/C7H13N5/c1-5-3-4-9-7-10-6(8-2)11-12(5)7/h5H,3-4H2,1-2H3,(H2,8,9,10,11)
InChIKeyFVCLSXSDBVNWKW-UHFFFAOYSA-N
XLogP0.70
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,7-dimethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of N,7-dimethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 136840618) is N,7-dimethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for N,7-dimethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for N,7-dimethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is CNc1nc2n(n1)C(C)CCN2.
What is the InChIKey of N,7-dimethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is FVCLSXSDBVNWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5/c1-5-3-4-9-7-10-6(8-2)11-12(5)7/h5H,3-4H2,1-2H3,(H2,8,9,10,11).
What are the key properties of N,7-dimethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
N,7-dimethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 167.22 g/mol, XLogP of 0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,7-dimethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 136840618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).