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

C5H9ClN4 — CID 135988476

IUPAC4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine;hydrochloride
SMILESCl.c1nc2n(n1)CCCN2
InChIInChI=1S/C5H8N4.ClH/c1-2-6-5-7-4-8-9(5)3-1;/h4H,1-3H2,(H,6,7,8);1H
InChIKeyRKGJISBIZBSNGR-UHFFFAOYSA-N
MW160.61 g/mol
LogP0.52
Rot. Bonds

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

4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine;hydrochloride (PubChem CID 135988476) has the molecular formula C5H9ClN4 and a molecular weight of 160.61 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine;hydrochloride.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine;hydrochloride
PubChem CID135988476
Molecular FormulaC5H9ClN4
Molecular Weight160.61 g/mol
Exact Mass160.05
IUPAC Name4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine;hydrochloride
SMILESCl.c1nc2n(n1)CCCN2
InChIInChI=1S/C5H8N4.ClH/c1-2-6-5-7-4-8-9(5)3-1;/h4H,1-3H2,(H,6,7,8);1H
InChIKeyRKGJISBIZBSNGR-UHFFFAOYSA-N
XLogP0.52
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.61
LogP ≤ 50.52
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
3-(1H-1,2,4-triazol-1-yl)propan-1-amine hydrochloride
CID 44119709
3-(1H-1,2,4-triazol-1-yl)propan-1-amine dihydrochloride
CID 53398793
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
CID 135704509
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;hydrochloride?
The IUPAC name of 4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine;hydrochloride (CID 135988476) is 4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine;hydrochloride.
What is the SMILES notation for 4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine;hydrochloride?
The canonical SMILES for 4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine;hydrochloride is Cl.c1nc2n(n1)CCCN2.
What is the InChIKey of 4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine;hydrochloride?
The InChIKey is RKGJISBIZBSNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4.ClH/c1-2-6-5-7-4-8-9(5)3-1;/h4H,1-3H2,(H,6,7,8);1H.
What are the key properties of 4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine;hydrochloride?
4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine;hydrochloride has a molecular weight of 160.61 g/mol, XLogP of 0.52, 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;hydrochloride is sourced from PubChem (CID 135988476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).