3-methyl-8-propan-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine

C9H16N4 — CID 88983588

IUPAC3-methyl-8-propan-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine
SMILESCc1nnc2n1CCCN2C(C)C
InChIInChI=1S/C9H16N4/c1-7(2)12-5-4-6-13-8(3)10-11-9(12)13/h7H,4-6H2,1-3H3
InChIKeyZKRMGTABTFSCMX-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.21
Rot. Bonds1

About 3-methyl-8-propan-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine

3-methyl-8-propan-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine (PubChem CID 88983588) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-methyl-8-propan-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine.

Molecular Properties

Compound Name3-methyl-8-propan-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine
PubChem CID88983588
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name3-methyl-8-propan-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine
SMILESCc1nnc2n1CCCN2C(C)C
InChIInChI=1S/C9H16N4/c1-7(2)12-5-4-6-13-8(3)10-11-9(12)13/h7H,4-6H2,1-3H3
InChIKeyZKRMGTABTFSCMX-UHFFFAOYSA-N
XLogP1.21
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-propan-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine?
The IUPAC name of 3-methyl-8-propan-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine (CID 88983588) is 3-methyl-8-propan-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine.
What is the SMILES notation for 3-methyl-8-propan-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine?
The canonical SMILES for 3-methyl-8-propan-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine is Cc1nnc2n1CCCN2C(C)C.
What is the InChIKey of 3-methyl-8-propan-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine?
The InChIKey is ZKRMGTABTFSCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-7(2)12-5-4-6-13-8(3)10-11-9(12)13/h7H,4-6H2,1-3H3.
What are the key properties of 3-methyl-8-propan-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine?
3-methyl-8-propan-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine has a molecular weight of 180.25 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-propan-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine is sourced from PubChem (CID 88983588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).