1-methyl-3a,6-dihydrotriazolo[4,5-d]pyrimidin-7-amine

C5H8N6 — CID 23262607

IUPAC1-methyl-3a,6-dihydrotriazolo[4,5-d]pyrimidin-7-amine
SMILESCN1N=NC2N=CNC(N)=C21
InChIInChI=1S/C5H8N6/c1-11-3-4(6)7-2-8-5(3)9-10-11/h2,5H,6H2,1H3,(H,7,8)
InChIKeyOIIFXUBLBZLXNV-UHFFFAOYSA-N
MW152.16 g/mol
LogP-0.62
Rot. Bonds

About 1-methyl-3a,6-dihydrotriazolo[4,5-d]pyrimidin-7-amine

1-methyl-3a,6-dihydrotriazolo[4,5-d]pyrimidin-7-amine (PubChem CID 23262607) has the molecular formula C5H8N6 and a molecular weight of 152.16 g/mol. Its IUPAC name is 1-methyl-3a,6-dihydrotriazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name1-methyl-3a,6-dihydrotriazolo[4,5-d]pyrimidin-7-amine
PubChem CID23262607
Molecular FormulaC5H8N6
Molecular Weight152.16 g/mol
Exact Mass152.08
IUPAC Name1-methyl-3a,6-dihydrotriazolo[4,5-d]pyrimidin-7-amine
SMILESCN1N=NC2N=CNC(N)=C21
InChIInChI=1S/C5H8N6/c1-11-3-4(6)7-2-8-5(3)9-10-11/h2,5H,6H2,1H3,(H,7,8)
InChIKeyOIIFXUBLBZLXNV-UHFFFAOYSA-N
XLogP-0.62
TPSA78.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

9-Methyl-1,2,3,4-tetrahydropurin-6-amine
CID 171344344
6,7,8,9-tetrahydro-3H-purine
CID 57306527
6,7,8,9-tetrahydro-3H-purin-6-amine
CID 89493556
N-methyl-6-(methylideneamino)-1,4-dihydropyrimidin-5-amine
CID 123175950
4,7-dihydro-1H-purine-2,6-diamine
CID 131970278
1,2,2,3,4,9-Hexadeuteriopurin-6-amine
CID 175854136
6-methyl-4,7-dihydro-3H-purine
CID 176524374
9-Ethyl-1,4-dihydropurin-6-amine
CID 5185850
N,N-dimethyl-4,7-dihydro-1H-purin-6-amine
CID 129932773
9-Methyl-3,6,7,8-tetrahydropurin-6-amine
CID 141790517

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3a,6-dihydrotriazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 1-methyl-3a,6-dihydrotriazolo[4,5-d]pyrimidin-7-amine (CID 23262607) is 1-methyl-3a,6-dihydrotriazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 1-methyl-3a,6-dihydrotriazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 1-methyl-3a,6-dihydrotriazolo[4,5-d]pyrimidin-7-amine is CN1N=NC2N=CNC(N)=C21.
What is the InChIKey of 1-methyl-3a,6-dihydrotriazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is OIIFXUBLBZLXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N6/c1-11-3-4(6)7-2-8-5(3)9-10-11/h2,5H,6H2,1H3,(H,7,8).
What are the key properties of 1-methyl-3a,6-dihydrotriazolo[4,5-d]pyrimidin-7-amine?
1-methyl-3a,6-dihydrotriazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 152.16 g/mol, XLogP of -0.62, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3a,6-dihydrotriazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 23262607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).