4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

C5H8N4 — CID 135704509

IUPAC4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1nc2n(n1)CCCN2
InChIInChI=1S/C5H8N4/c1-2-6-5-7-4-8-9(5)3-1/h4H,1-3H2,(H,6,7,8)
InChIKeyMRACRRVWXDRQCD-UHFFFAOYSA-N
MW124.15 g/mol
LogP0.09
Rot. Bonds

About 4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 135704509) has the molecular formula C5H8N4 and a molecular weight of 124.15 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID135704509
Molecular FormulaC5H8N4
Molecular Weight124.15 g/mol
Exact Mass124.07
IUPAC Name4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1nc2n(n1)CCCN2
InChIInChI=1S/C5H8N4/c1-2-6-5-7-4-8-9(5)3-1/h4H,1-3H2,(H,6,7,8)
InChIKeyMRACRRVWXDRQCD-UHFFFAOYSA-N
XLogP0.09
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.15
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1H-1,2,4-Triazole-1-propanamine
CID 4379682
5-Methyl-7-(trifluoromethyl)-4H,5H,6H,7H-[1,2,4]triazolo[1,5-A]pyrimidine
CID 659492
4H,5H,6H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine
CID 136407080
N-butyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine
CID 127043940
4-(1H-1,2,4-Triazol-1-yl)piperidine
CID 23532625
3-(1H-1,2,4-triazol-1-yl)propan-1-amine hydrochloride
CID 44119709
N-propyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine
CID 127044216
4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine hydrochloride
CID 135988476
6-methyl-4H,5H,6H,7H-(1,2,4)triazolo(1,5-a)pyrimidine
CID 136316570
(5S,7S)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 744110
(5R,7S)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 744111
(5S,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 744112

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 135704509) is 4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is c1nc2n(n1)CCCN2.
What is the InChIKey of 4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is MRACRRVWXDRQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4/c1-2-6-5-7-4-8-9(5)3-1/h4H,1-3H2,(H,6,7,8).
What are the key properties of 4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 124.15 g/mol, XLogP of 0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 135704509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).