6-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)heptan-2-amine

C14H23N5 — CID 79817486

IUPAC6-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)heptan-2-amine
SMILESCc1cc2nnc(C(C)CCCC(C)N)n2c(C)n1
InChIInChI=1S/C14H23N5/c1-9(6-5-7-10(2)15)14-18-17-13-8-11(3)16-12(4)19(13)14/h8-10H,5-7,15H2,1-4H3
InChIKeyPXWCIHMLVMTCEE-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.36
Rot. Bonds5

About 6-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)heptan-2-amine

6-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)heptan-2-amine (PubChem CID 79817486) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 6-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)heptan-2-amine.

Molecular Properties

Compound Name6-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)heptan-2-amine
PubChem CID79817486
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name6-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)heptan-2-amine
SMILESCc1cc2nnc(C(C)CCCC(C)N)n2c(C)n1
InChIInChI=1S/C14H23N5/c1-9(6-5-7-10(2)15)14-18-17-13-8-11(3)16-12(4)19(13)14/h8-10H,5-7,15H2,1-4H3
InChIKeyPXWCIHMLVMTCEE-UHFFFAOYSA-N
XLogP2.36
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)heptan-2-amine?
The IUPAC name of 6-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)heptan-2-amine (CID 79817486) is 6-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)heptan-2-amine.
What is the SMILES notation for 6-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)heptan-2-amine?
The canonical SMILES for 6-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)heptan-2-amine is Cc1cc2nnc(C(C)CCCC(C)N)n2c(C)n1.
What is the InChIKey of 6-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)heptan-2-amine?
The InChIKey is PXWCIHMLVMTCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-9(6-5-7-10(2)15)14-18-17-13-8-11(3)16-12(4)19(13)14/h8-10H,5-7,15H2,1-4H3.
What are the key properties of 6-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)heptan-2-amine?
6-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)heptan-2-amine has a molecular weight of 261.37 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)heptan-2-amine is sourced from PubChem (CID 79817486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).