N,N-dimethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-amine

C7H13N5 — CID 135682424

IUPACN,N-dimethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-amine
SMILESCN(C)c1nnc2n1CCCN2
InChIInChI=1S/C7H13N5/c1-11(2)7-10-9-6-8-4-3-5-12(6)7/h3-5H2,1-2H3,(H,8,9)
InChIKeyLFHMRYVQLOBUCO-UHFFFAOYSA-N
MW167.22 g/mol
LogP0.16
Rot. Bonds1

About N,N-dimethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-amine

N,N-dimethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-amine (PubChem CID 135682424) has the molecular formula C7H13N5 and a molecular weight of 167.22 g/mol. Its IUPAC name is N,N-dimethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-amine
PubChem CID135682424
Molecular FormulaC7H13N5
Molecular Weight167.22 g/mol
Exact Mass167.12
IUPAC NameN,N-dimethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-amine
SMILESCN(C)c1nnc2n1CCCN2
InChIInChI=1S/C7H13N5/c1-11(2)7-10-9-6-8-4-3-5-12(6)7/h3-5H2,1-2H3,(H,8,9)
InChIKeyLFHMRYVQLOBUCO-UHFFFAOYSA-N
XLogP0.16
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-amine?
The IUPAC name of N,N-dimethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-amine (CID 135682424) is N,N-dimethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-amine.
What is the SMILES notation for N,N-dimethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-amine?
The canonical SMILES for N,N-dimethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-amine is CN(C)c1nnc2n1CCCN2.
What is the InChIKey of N,N-dimethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-amine?
The InChIKey is LFHMRYVQLOBUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5/c1-11(2)7-10-9-6-8-4-3-5-12(6)7/h3-5H2,1-2H3,(H,8,9).
What are the key properties of N,N-dimethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-amine?
N,N-dimethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-amine has a molecular weight of 167.22 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-amine is sourced from PubChem (CID 135682424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).