4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

C5H7N5 — CID 137229347

IUPAC4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESNc1nc2n(n1)CC=CN2
InChIInChI=1S/C5H7N5/c6-4-8-5-7-2-1-3-10(5)9-4/h1-2H,3H2,(H3,6,7,8,9)
InChIKeyPOMRLZMDCWUQEH-UHFFFAOYSA-N
MW137.15 g/mol
LogP-0.20
Rot. Bonds

About 4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 137229347) has the molecular formula C5H7N5 and a molecular weight of 137.15 g/mol. Its IUPAC name is 4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID137229347
Molecular FormulaC5H7N5
Molecular Weight137.15 g/mol
Exact Mass137.07
IUPAC Name4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESNc1nc2n(n1)CC=CN2
InChIInChI=1S/C5H7N5/c6-4-8-5-7-2-1-3-10(5)9-4/h1-2H,3H2,(H3,6,7,8,9)
InChIKeyPOMRLZMDCWUQEH-UHFFFAOYSA-N
XLogP-0.20
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.15
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,5-Dihydro[1,2,4]triazolo[4,3-a]pyrimidine
CID 136401674
4,7-Dihydro-1,2,4-triazolo[1,5-a]pyrimidine
CID 136428882
1,5-Dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136454086
4,7-Dihydrotetrazolo[1,5-a]pyrimidine
CID 136481730
2-(1,2,4-Triazol-1-yl)-1,2-dihydropyridine
CID 19041087
N-methyl-3-(1,2,4-triazol-1-yl)prop-1-en-1-amine
CID 89075288
2-Methyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136134153
3-Oxido-4,7-dihydrotetrazolo[1,5-a]pyrimidin-3-ium
CID 136402225
2-Sulfonylamino-4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine
CID 137229352
4,7-Dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 141270841
4,5-Dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 142318065
4,5-Dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine
CID 165114087

Frequently Asked Questions

What is the IUPAC name of 4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 137229347) is 4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is Nc1nc2n(n1)CC=CN2.
What is the InChIKey of 4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is POMRLZMDCWUQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N5/c6-4-8-5-7-2-1-3-10(5)9-4/h1-2H,3H2,(H3,6,7,8,9).
What are the key properties of 4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 137.15 g/mol, XLogP of -0.20, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 137229347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).