8-(2,2-dimethylpropyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine

C10H18N4 — CID 143797435

IUPAC8-(2,2-dimethylpropyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine
SMILESCC(C)(C)CN1CCCn2cnnc21
InChIInChI=1S/C10H18N4/c1-10(2,3)7-13-5-4-6-14-8-11-12-9(13)14/h8H,4-7H2,1-3H3
InChIKeyQVWGLILYYXYJDX-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.53
Rot. Bonds1

About 8-(2,2-dimethylpropyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine

8-(2,2-dimethylpropyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine (PubChem CID 143797435) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 8-(2,2-dimethylpropyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine.

Molecular Properties

Compound Name8-(2,2-dimethylpropyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine
PubChem CID143797435
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name8-(2,2-dimethylpropyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine
SMILESCC(C)(C)CN1CCCn2cnnc21
InChIInChI=1S/C10H18N4/c1-10(2,3)7-13-5-4-6-14-8-11-12-9(13)14/h8H,4-7H2,1-3H3
InChIKeyQVWGLILYYXYJDX-UHFFFAOYSA-N
XLogP1.53
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-Dimethyl-1-[3-(1-methyl-1,2,4-triazol-4-ium-4-yl)propyl]-4-propan-2-ylpiperazine-1,4-diium
CID 20689016
1-(4-Methyl-1,2,4-triazol-3-yl)piperidine
CID 21854916
8-propan-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine
CID 57530988
8-methyl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine
CID 89209622
N-butyl-N-methyl-[1,2,4]triazolo[4,3-a][1,3,5]triazin-5-amine
CID 91070862
Methyl-[3-(1-methyl-1,2,4-triazol-4-ium-4-yl)propyl]-dipropylazanium
CID 141949317
ethane;8-ethyl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine
CID 142619172
6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidin-8-ylmethylphosphane
CID 143797442
Ethane;6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine
CID 143917886
4-methyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine
CID 144434155
N-ethyl-2,2-dimethyl-N-[3-(1,2,4-triazol-1-yl)propyl]propan-1-amine
CID 156563571
2,2-dimethyl-N-propan-2-yl-N-[3-(1,2,4-triazol-1-yl)propyl]propan-1-amine
CID 156564043

Frequently Asked Questions

What is the IUPAC name of 8-(2,2-dimethylpropyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine?
The IUPAC name of 8-(2,2-dimethylpropyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine (CID 143797435) is 8-(2,2-dimethylpropyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine.
What is the SMILES notation for 8-(2,2-dimethylpropyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine?
The canonical SMILES for 8-(2,2-dimethylpropyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine is CC(C)(C)CN1CCCn2cnnc21.
What is the InChIKey of 8-(2,2-dimethylpropyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine?
The InChIKey is QVWGLILYYXYJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-10(2,3)7-13-5-4-6-14-8-11-12-9(13)14/h8H,4-7H2,1-3H3.
What are the key properties of 8-(2,2-dimethylpropyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine?
8-(2,2-dimethylpropyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine has a molecular weight of 194.28 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2-dimethylpropyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine is sourced from PubChem (CID 143797435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).