4-propyl-2-(2H-triazol-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

C11H14N6 — CID 114741051

IUPAC4-propyl-2-(2H-triazol-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCCCc1nc(-c2cn[nH]n2)nc2c1CNC2
InChIInChI=1S/C11H14N6/c1-2-3-8-7-4-12-5-9(7)15-11(14-8)10-6-13-17-16-10/h6,12H,2-5H2,1H3,(H,13,16,17)
InChIKeySWYOPTIBJZPFJK-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.82
Rot. Bonds3

About 4-propyl-2-(2H-triazol-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

4-propyl-2-(2H-triazol-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 114741051) has the molecular formula C11H14N6 and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-propyl-2-(2H-triazol-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-propyl-2-(2H-triazol-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID114741051
Molecular FormulaC11H14N6
Molecular Weight230.27 g/mol
Exact Mass230.13
IUPAC Name4-propyl-2-(2H-triazol-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCCCc1nc(-c2cn[nH]n2)nc2c1CNC2
InChIInChI=1S/C11H14N6/c1-2-3-8-7-4-12-5-9(7)15-11(14-8)10-6-13-17-16-10/h6,12H,2-5H2,1H3,(H,13,16,17)
InChIKeySWYOPTIBJZPFJK-UHFFFAOYSA-N
XLogP0.82
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740981
2-(3,4-dichlorophenyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741176
2-(3-ethyl-2-pyridinyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741089
4-ethyl-2-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740706
2-(1-methylpyrazol-3-yl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742712
4-propyl-2-(propylsulfanylmethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741083
2-(propoxymethyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741014
2-(2-methoxypropan-2-yl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741173
2-(4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)quinoline
CID 114740772
2-(4-methylpiperazin-1-yl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741010
2-(1-methoxybutyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741127
2-(1-methoxypropyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741092

Frequently Asked Questions

What is the IUPAC name of 4-propyl-2-(2H-triazol-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 4-propyl-2-(2H-triazol-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 114741051) is 4-propyl-2-(2H-triazol-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-propyl-2-(2H-triazol-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 4-propyl-2-(2H-triazol-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is CCCc1nc(-c2cn[nH]n2)nc2c1CNC2.
What is the InChIKey of 4-propyl-2-(2H-triazol-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is SWYOPTIBJZPFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6/c1-2-3-8-7-4-12-5-9(7)15-11(14-8)10-6-13-17-16-10/h6,12H,2-5H2,1H3,(H,13,16,17).
What are the key properties of 4-propyl-2-(2H-triazol-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
4-propyl-2-(2H-triazol-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 230.27 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-2-(2H-triazol-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 114741051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).