N-[(1S)-2,2-dimethylcyclopropyl]-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-amine

C11H15N5 — CID 128730908

IUPACN-[(1S)-2,2-dimethylcyclopropyl]-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-amine
SMILESCc1nc(N[C@H]2CC2(C)C)cc2nncn12
InChIInChI=1S/C11H15N5/c1-7-13-9(14-8-5-11(8,2)3)4-10-15-12-6-16(7)10/h4,6,8,14H,5H2,1-3H3/t8-/m0/s1
InChIKeyOKRINZCNCVCXFT-QMMMGPOBSA-N
MW217.28 g/mol
LogP1.64
Rot. Bonds2

About N-[(1S)-2,2-dimethylcyclopropyl]-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-amine

N-[(1S)-2,2-dimethylcyclopropyl]-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-amine (PubChem CID 128730908) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is N-[(1S)-2,2-dimethylcyclopropyl]-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(1S)-2,2-dimethylcyclopropyl]-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-amine
PubChem CID128730908
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC NameN-[(1S)-2,2-dimethylcyclopropyl]-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-amine
SMILESCc1nc(N[C@H]2CC2(C)C)cc2nncn12
InChIInChI=1S/C11H15N5/c1-7-13-9(14-8-5-11(8,2)3)4-10-15-12-6-16(7)10/h4,6,8,14H,5H2,1-3H3/t8-/m0/s1
InChIKeyOKRINZCNCVCXFT-QMMMGPOBSA-N
XLogP1.64
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,2-dimethylcyclopropyl]-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-amine?
The IUPAC name of N-[(1S)-2,2-dimethylcyclopropyl]-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-amine (CID 128730908) is N-[(1S)-2,2-dimethylcyclopropyl]-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-amine.
What is the SMILES notation for N-[(1S)-2,2-dimethylcyclopropyl]-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-amine?
The canonical SMILES for N-[(1S)-2,2-dimethylcyclopropyl]-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-amine is Cc1nc(N[C@H]2CC2(C)C)cc2nncn12.
What is the InChIKey of N-[(1S)-2,2-dimethylcyclopropyl]-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-amine?
The InChIKey is OKRINZCNCVCXFT-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15N5/c1-7-13-9(14-8-5-11(8,2)3)4-10-15-12-6-16(7)10/h4,6,8,14H,5H2,1-3H3/t8-/m0/s1.
What are the key properties of N-[(1S)-2,2-dimethylcyclopropyl]-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-amine?
N-[(1S)-2,2-dimethylcyclopropyl]-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-amine has a molecular weight of 217.28 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2,2-dimethylcyclopropyl]-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-amine is sourced from PubChem (CID 128730908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).