1-([1,2,4]triazolo[4,3-c]pyrimidin-3-ylmethyl)cyclobutan-1-amine

C10H13N5 — CID 79845154

IUPAC1-([1,2,4]triazolo[4,3-c]pyrimidin-3-ylmethyl)cyclobutan-1-amine
SMILESNC1(Cc2nnc3ccncn23)CCC1
InChIInChI=1S/C10H13N5/c11-10(3-1-4-10)6-9-14-13-8-2-5-12-7-15(8)9/h2,5,7H,1,3-4,6,11H2
InChIKeyYWZQJMZFNHHCTB-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.55
Rot. Bonds2

About 1-([1,2,4]triazolo[4,3-c]pyrimidin-3-ylmethyl)cyclobutan-1-amine

1-([1,2,4]triazolo[4,3-c]pyrimidin-3-ylmethyl)cyclobutan-1-amine (PubChem CID 79845154) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is 1-([1,2,4]triazolo[4,3-c]pyrimidin-3-ylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-([1,2,4]triazolo[4,3-c]pyrimidin-3-ylmethyl)cyclobutan-1-amine
PubChem CID79845154
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name1-([1,2,4]triazolo[4,3-c]pyrimidin-3-ylmethyl)cyclobutan-1-amine
SMILESNC1(Cc2nnc3ccncn23)CCC1
InChIInChI=1S/C10H13N5/c11-10(3-1-4-10)6-9-14-13-8-2-5-12-7-15(8)9/h2,5,7H,1,3-4,6,11H2
InChIKeyYWZQJMZFNHHCTB-UHFFFAOYSA-N
XLogP0.55
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1,2,4)Triazolo(4,3-c)pyrimidin-3-amine
CID 18769977
Pyrazolo[1,5-a]pyrimidin-5-amine
CID 55285819
5-Piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-amine
CID 176142005
1,2,4-Triazolo(4,3-c)pyrimidine
CID 331621
Methyl-1,2,4-triazolo [4,3-c]-pyrimidine
CID 12465354
3-Ethyl[1,2,4]triazolo[4,3-c]pyrimidine
CID 329863
Butyl-pyrazolo[1,5-a]pyrimidin-5-yl-amine
CID 86697416
5-Piperidino-7-amino-s-triazolo[1,5-c]pyrimidine
CID 1500060
Allyl-1,2,4-triazolo[4,3-c]pyrimidine
CID 129874076
3-Cyclohexyl-[1,2,4]triazolo[4,3-a]pyrimidine
CID 139230155
N-octylpyrazolo[1,5-a]pyrimidin-7-amine
CID 12366056
1,1,1-Trifluoro-2-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-2-amine
CID 79816924

Frequently Asked Questions

What is the IUPAC name of 1-([1,2,4]triazolo[4,3-c]pyrimidin-3-ylmethyl)cyclobutan-1-amine?
The IUPAC name of 1-([1,2,4]triazolo[4,3-c]pyrimidin-3-ylmethyl)cyclobutan-1-amine (CID 79845154) is 1-([1,2,4]triazolo[4,3-c]pyrimidin-3-ylmethyl)cyclobutan-1-amine.
What is the SMILES notation for 1-([1,2,4]triazolo[4,3-c]pyrimidin-3-ylmethyl)cyclobutan-1-amine?
The canonical SMILES for 1-([1,2,4]triazolo[4,3-c]pyrimidin-3-ylmethyl)cyclobutan-1-amine is NC1(Cc2nnc3ccncn23)CCC1.
What is the InChIKey of 1-([1,2,4]triazolo[4,3-c]pyrimidin-3-ylmethyl)cyclobutan-1-amine?
The InChIKey is YWZQJMZFNHHCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c11-10(3-1-4-10)6-9-14-13-8-2-5-12-7-15(8)9/h2,5,7H,1,3-4,6,11H2.
What are the key properties of 1-([1,2,4]triazolo[4,3-c]pyrimidin-3-ylmethyl)cyclobutan-1-amine?
1-([1,2,4]triazolo[4,3-c]pyrimidin-3-ylmethyl)cyclobutan-1-amine has a molecular weight of 203.25 g/mol, XLogP of 0.55, 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-ylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 79845154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).